Copper thiocyanate - ≥99% , CAS No.1111-67-7

CAS: 1111-67-7 Cat. No.: C100225 Molecular Weight: 121.63 EC Number: 214-183-1

GRADE & PURITY ≥99%

Synonyms

SCHEMBL201694 | COPPER MONOTHIOCYANATE | DTXSID0034481 | AKOS015915156 | Thiocyanic acid, copper(1+) salt | CUPROUS THIOCYANATE [MI] | COPPER THIOCYANATE (CUCNS) | Cuprous thiocyanate | C3417 | Copper(1+) thiocyanate | COPPER THIOCYANATE | FT-0656491 | UN

Storage

Room temperature

Shipped In

Normal

Overview

The crystal belongs to the orthorhombic system, space group: Pbca,a=10.994(9)?, b=7.224(3)?,c=6.662(2)?.

Specifications

Synonyms

SCHEMBL201694 | COPPER MONOTHIOCYANATE | DTXSID0034481 | AKOS015915156 | Thiocyanic acid, copper(1+) salt | CUPROUS THIOCYANATE [MI] | COPPER THIOCYANATE (CUCNS) | Cuprous thiocyanate | C3417 | Copper(1+) thiocyanate | COPPER THIOCYANATE | FT-0656491 | UN

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488183471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183471
• Canonical Smiles: C(#N)[S-].[Cu+]
• IUPAC Name: copper(1+);thiocyanate
• InChIKey: PDZKZMQQDCHTNF-UHFFFAOYSA-M
• INCHI: 1S/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1
• Isomeric SMILES: C(#N)[S-].[Cu+]
• WGK Germany: 3
• RTECS: GL8955000
• UN Number: 3077
• Molecular Weight: 121.63
• Reaxy-Rn: 3561118
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3561118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiocyanates
      • Subclass Metal thiocyanates

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thiocyanates
• Subclass: Metal thiocyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal thiocyanates
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic copper salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Metal thiocyanate - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic copper salt - Organic salt - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as metal thiocyanates. These are metal salts of thiocyanic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Practically insoluble in water, alcohol. Soluble in NH{4}OH, ether
• Melt Point(°C): 1084°C
• Molecular Weight: 121.630 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.905 Da
• Monoisotopic Mass: 120.905 Da
• Topological Polar Surface Area: 24.800 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Chengjie Gao, Zhenzhou Sun, Ning Zhu, Hongliang Han, Zhongfeng Li, Chaoyue Gu, Yuping Yang, Xiulan Xin, Qiming Qiu, Wei Yang, Guo Wang, Qionghua Jin.  (2022)  Synthesis, characterization and discussion of two copper(I) complexes with different luminescent properties under the influence of multiple weak forces.  JOURNAL OF COORDINATION CHEMISTRY,      [PMID:] [10.1080/00958972.2022.2145959]

2. Ju Songman, Zhu Yangbin, Hu Hailong, Liu Yang, Xu Zhongwei, Zheng Jinping, Mao Chaomin, Yu Yongshen, Yang Kaiyu, Lin Lihua, Guo Tailiang, Li Fushan.  (2022)  Dual-function perovskite light-emitting/sensing devices for optical interactive display.  Light-Science & Applications,  11  (1): (1-9).  [PMID:36418315] [10.1038/s41377-022-01036-8]

3. Yanwen Jing, Yanqi Lv, Ke Wang, Zhimin Xu, Xingfu Zhou.  (2022)  Acquiring high-performance and commercially available carbon based air-stable perovskite solar cells by using ZnBr2 additive.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2022.167445]

4. Ibrahim A. Alhumaydhi, Rashid Abro, Shaukat Ali Mazari, Masroor Abro, Sabzoi Nizamuddin, Abdul Q. Memon, Guangren Yu.  (2020)  Separation of propylene and propane by functional mixture of imidazolium thiocyanate ionic liquid-organic solvent-cuprous salt.  CANADIAN JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1002/cjce.23970]

5. Yanqi Lv, Hui Tong, Wanxian Cai, Zhaobin Zhang, Hongling Chen, Xingfu Zhou.  (2020)  Boosting the efficiency of commercial available carbon-based perovskite solar cells using Zinc-doped TiO2 nanorod arrays as electron transport layer.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2020.156785]

6. Zhiyong Liu, Xingyue Liu, Bo Sun, Xianhua Tan, Haibo Ye, Jianxin Zhou, Zirong Tang, Tielin Shi, Guanglan Liao.  (2020)  A Cu-Doping Strategy to Enhance Photoelectric Performance of Self-Powered Hole-Conductor-Free Perovskite Photodetector for Optical Communication Applications.  Advanced Materials Technologies,  5  (8): (2000260).  [PMID:] [10.1002/admt.202000260]

7. Du Jianwei, Zhang Peng, Zhao Xiao, Wang Youxiang.  (2017)  An easy gene assembling strategy for light-promoted transfection by combining host-guest interaction of cucurbit[7]uril and gold nanoparticles.  Scientific Reports,  7  (1): (1-10).  [PMID:28729541] [10.1038/s41598-017-06449-9]

8. Guangren Yu, Lin Zhang, Ibrahim A. Alhumaydhi, Ahmed A. Abdeltawab, Abdulaziz A. Bagabas, Hamid A. Al-Megren, Salem S. Al-Deyab, Xiaochun Chen.  (2015)  Separation of propylene and propane by alkylimidazolium thiocyanate ionic liquids with Cu+ salt.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2015.10.022]

9. Xiaochun Chen, Shuimin Ming, Xinying Wu, Chang Chen, Charles Asumana, Guangren Yu.  (2013)  Cu(I)-Based Ionic Liquids as Potential Absorbents to Separate Propylene and Propane.  SEPARATION SCIENCE AND TECHNOLOGY,      [PMID:] [10.1080/01496395.2013.794836]

10. Chen Wenliang, Zhang Yingze, Zhu Xiaoyu, Miao Junhui, Liu Jun, Wang Lixiang.  (2025)  Near-infrared organic photodetectors outperform Si photodetectors: introducing an all-fused-ring acceptor into active layers for ultra-low trap density.  Science China-Materials,      [PMID:] [10.1007/s40843-024-3251-x]

11. Zhenbo Du, Ruoshui Li, Le Yang, Fengli Liu, Jianming Lin, Jihuai Wu, Zhang Lan.  (2024)  Preparation of efficient all-inorganic perovskite solar cells from large grain via 1-heptanamine stabilised CsPbI2Br nanoparticles with NH4SCN additive.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2024.177340]

12. Zhenbo Du, Ruoshui Li, Yan Lu, Chunyan Deng, Jianming Lin, Jihuai Wu, Zhang Lan.  (2024)  Simplified Fabrication for High-Performance CsPbIBr2 Perovskite Solar Cells via Nanoparticle Centrifugal Deposition.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.3c06274]

13. Tongzhou Wei, Haohong Jiang, Yuanhong Hu, Qiaoming Zhang, Liangqin Zeng, Junjie Guo, Lixiang Chen, Xingwen Tan, Ping Chen, Yanlian Lei.  (2025)  Photodetection-Photosynapse Multimodal Integrated Device for Synergistic Applications in Encrypted Optical Communication and Image Processing.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202512960]

14. Shulin Sha, Tong Xu, Kai Tang, Wenjie Li, Yun Wei, Peng Wan, Zeng Liu, Caixia Kan, Da Ning Shi, Mingming Jiang.  (2025)  In Situ Oxidized MXene-Based Flexible Ultraviolet Optoelectronic Synapse for Neuromorphic Computing and Multimodal Perception.  ACS Photonics,      [PMID:] [10.1021/acsphotonics.5c01194]

15. Qinming Wang, Jinlin Wan, Sen Wu, Xingfu Zhou.  (2025)  Improvement on the Performance and Stability of Carbon-Based Perovskite Solar Cells by Using APH Additives.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138305]

16. Jun Ma, Jiahui Wang, Junli Hu, Yichun Liu.  (2024)  Flexible Near-Infrared Organic Photodetectors Based on a High Work Function Anode.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D4TC02709D]

17. Yuquan Chen, Perumal Veeramalai Chandrasekar, Chuanbo Li, Sree Pammi, Jagadeesh Babu Bellam, Xiaoming Zhang, Peipei Ma.  (2025)  Self-powered, ultrabroad band photodetector with large open circuit voltage using colloidal PbSe QDs.  Nanoscale Advances,      [PMID:40438674] [10.1039/D5NA00073D]

18. Wenxiang Zhou, Qinming Wang, Jinlin Wan, Xingfu Zhou.  (2025)  Improvement of the performance of carbon-based perovskite solar cells via interface modification of the double electro transport layer of TiO2/SnO2.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2025.02.475]

19. Qinming Wang, Jinlin Wan, Sen Wu, Xingfu Zhou.  (2026)  Surface passivation for carbon-based perovskite solar cells by using propylamine hydroiodide: Improved performance and stability.  Journal of Environmental Chemical Engineering,  14  (2): (121312).  [PMID:] [10.1016/j.jece.2026.121312]

20. Haohong Jiang, Yuanhong Hu, Tongzhou Wei, Lixiang Chen, Qiaoming Zhang, Yanlian Lei.  (2026)  Artificial Visual Synapses for Assisting Red-Green Color Vision Deficiency.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202502220]