2-Cyanopropan-2-yl dodecyl carbonotrithioate - ≥97% , CAS No.870196-83-1

CAS: 870196-83-1 Cat. No.: C396706 Molecular Weight: 345.63 EC Number: 687-300-0

GRADE & PURITY ≥97%

Synonyms

2-Cyanopropan-2-yldodecylcarbonotrithioate | DTXSID60746391 | VJB19683 | AKOS025243589 | 2-Cyano-2-propyl dodecyl trithiocarbonate | AS-66421 | S-(2-Cyanoprop-2-yl)-S-dodecyltrithiocarbonate | 2-Cyanopropan-2-yl dodecyl carbonotrithioate | C17H31NS3 | 2-{

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Cyanopropan-2-yldodecylcarbonotrithioate | DTXSID60746391 | VJB19683 | AKOS025243589 | 2-Cyano-2-propyl dodecyl trithiocarbonate | AS-66421 | S-(2-Cyanoprop-2-yl)-S-dodecyltrithiocarbonate | 2-Cyanopropan-2-yl dodecyl carbonotrithioate | C17H31NS3 | 2-{

Specifications & Purity

≥97%

Legal Information

Sold for research purposes only. Not for use in humans or animals. Patents: WO98/01478, WO99/311444. RAFT Agent Kit component.

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504772057
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772057
• Canonical Smiles: CCCCCCCCCCCCSC(=S)SC(C)(C)C#N
• IUPAC Name: 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
• InChIKey: QSVOWVXHKOQYIP-UHFFFAOYSA-N
• INCHI: 1S/C17H31NS3/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(19)21-17(2,3)15-18/h4-14H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCCSC(=S)SC(C)(C)C#N
• WGK Germany: 1
• Molecular Weight: 345.63
• Reaxy-Rn: 20979239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20979239&ln=

Chemical and Physical Properties

• Sensitivity: light & Moisture & heat sensitive
• Refractive Index: n20/D 1.535
• Molecular Weight: 345.600 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 345.162 Da
• Monoisotopic Mass: 345.162 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 317.000
• 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: 1

References

1. Shunhu Zhang, Chun Tian, Xiaowu Jiang, Xiang Xu, Haitao Zhao, Jiyuan Sun, Lifen Zhang, Zhenping Cheng.  (2023)  Synthesis of water-soluble NIR macro-photocatalysts from polymerizable zinc phthalocyanine.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112313]

2. Jincheng Sui, Xiaoyu Miao, Xin Cao, Qiuyu Ding, Longqiang Xiao, Linxi Hou.  (2024)  Control of molecular weight distribution through photoresponsive RAFT polymerization with a temporal program-controlled system.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127863]

3. Yan Wang, Jie Zhang, Jianlei Lu, Nan Hai, Jiawei Zhang.  (2025)  Regulating the self-assembly of PS-b-PNIPAm block copolymers enables dual-responsive shape memory hydrogel.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2025.113933]

4. Yangyang Hu, Ammara Aslam, Runsha Zhai, Yinan Zeng, Silu Wang, Haofei Yang, Anjie Dong, Jianhua Zhang.  (2026)  Synergistic integration of photoacid and acid-cleavable groups in polymers: An alternative approach to photo-responsive micelles for photo-switchable drug release.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2026.114496]

5. Wenlong Li, Shaoyun Guo, Xianlong Zhang.  (2026)  Highly Efficient and Recyclable Uranium Extraction via Amidoxime-Functionalized Amphiphilic Block Copolymer Nanomicelles.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c05128]