Triethoxy(3-thiocyanatopropyl)silane - ≥95% , CAS No.34708-08-2

CAS: 34708-08-2 Cat. No.: T303500 Molecular Weight: 263.43 EC Number: 252-161-3 PubChem CID: 118718

GRADE & PURITY ≥95%

Synonyms

EC 252-161-3 | (.GAMMA.-THIOCYANATOPROPYL)TRIETHOXYSILANE | 3-triethoxysilylpropyl thiocyanate | T3982 | DTXSID5044659 | 3-Thicyanatopropyltriethoxysilane | Q27282960 | 3-(triethoxysilyl)propyl thiocyanate | Triethoxy(3-thiocyanatopropyl)silane | Thiocyan

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

EC 252-161-3 | (.GAMMA.-THIOCYANATOPROPYL)TRIETHOXYSILANE | 3-triethoxysilylpropyl thiocyanate | T3982 | DTXSID5044659 | 3-Thicyanatopropyltriethoxysilane | Q27282960 | 3-(triethoxysilyl)propyl thiocyanate | Triethoxy(3-thiocyanatopropyl)silane | Thiocyan

Specifications & Purity

≥95%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756796
• Canonical Smiles: CCO[Si](CCCSC#N)(OCC)OCC
• IUPAC Name: 3-triethoxysilylpropyl thiocyanate
• InChIKey: HKMVWLQFAYGKSI-UHFFFAOYSA-N
• INCHI: 1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3
• Isomeric SMILES: CCO[Si](CCCSC#N)(OCC)OCC
• PubChem CID: 118718
• Molecular Weight: 263.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Silyl ethers Thiocyanates Sulfenyl compounds Organoheterosilanes Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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

• Flash Point(°C): 112°C
• Boil Point(°C): 95°C
• Melt Point(°C): <0°C
• Molecular Weight: 263.430 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 263.101 Da
• Monoisotopic Mass: 263.101 Da
• Topological Polar Surface Area: 76.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 202.000
• 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

XLogP3

References

1. Wang Yu, Chen Lianxi, Liu Zhenhui, Li Jie, Wang Pengpeng.  (2018)  A cationic surfactant-induced selective etching strategy for the synthesis of organosilica hollow nanospheres.  JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY,  87  (1): (147-155).  [PMID:] [10.1007/s10971-018-4705-z]

2. J. Li, L.X. Chen, X. Li, C.C. Zhang, F.L. Zeng.  (2015)  Hollow organosilica nanospheres prepared through surface hydrophobic layer protected selective etching.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2015.02.168]

3. Run Gan, Yanqing Zu, Tong Zhang, Chengzhang Yang, Chujie Wang, Binglin Zeng, Peitao Liu, Xiaodong Li, Fengbo Han, Yu Qian, Lei Zhao, Ailing Feng, Zhaoxin Wu.  (2025)  Anchoring group regulation of bridging molecules enables brightly luminescent and ultra-stable Cs2ZrCl6@SiO2 scintillator for high-resolution X-ray imaging.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2025.01.111]

4. Ziyao Zhao, Kuixian Wei, Hui Wu, Ning Tan, Wenhui Ma.  (2025)  One-step microwave synthesis of high-yield silica nanoparticles and the quenching mechanism of Fe and Hg ions.  JOURNAL OF NON-CRYSTALLINE SOLIDS,      [PMID:] [10.1016/j.jnoncrysol.2025.123504]