[3-(cyanosulfanyl)propyl]triethoxysilane

• ChemBase ID: 137361
• Molecular Formular: C10H21NO3SSi
• Molecular Mass: 263.42914
• Monoisotopic Mass: 263.10114107
• SMILES: CCO[Si](CCCSC#N)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCSC#N
• InChI: InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3
• InChIKey: HKMVWLQFAYGKSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyanosulfanyl)propyl]triethoxysilane
• IUPAC Traditional name: [3-(cyanosulfanyl)propyl]triethoxysilane
• Synonyms: (3-Thiocyanatopropyl)triethoxysilane; Triethoxy(3-thiocyanatopropyl)silane; 3-Thiocyanatopropyltriethoxysilane; (3-硫氰基丙基)三乙氧基硅烷; 三乙氧基(3-硫氰基丙基)硅烷

Database IDs

• CAS Number: 34708-08-2
• MDL Number: MFCD00043235
• Beilstein Number: 1949834
• PubChem SID: 162231624
• PubChem CID: 118718

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1433
• LogD (pH = 7.4): 2.1433
• Log P: 2.1433
• Molar Refractivity: 63.7794 cm^3
• Polarizability: 27.146048 Å^3
• Polar Surface Area: 51.48 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.031 g/mL at 20 °C(lit.)

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H21NO3SSi