trimethyl[1-(phenylsulfanyl)cyclopropyl]silane

• ChemBase ID: 138765
• Molecular Formular: C12H18SSi
• Molecular Mass: 222.42182
• Monoisotopic Mass: 222.08984811
• SMILES: C[Si](C)(C)C1(CC1)Sc1ccccc1
• Canonical SMILES: C[Si](C1(CC1)Sc1ccccc1)(C)C
• InChI: InChI=1S/C12H18SSi/c1-14(2,3)12(9-10-12)13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
• InChIKey: DEIZBLNWJYTTLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[1-(phenylsulfanyl)cyclopropyl]silane
• IUPAC Traditional name: trimethyl[1-(phenylsulfanyl)cyclopropyl]silane
• Synonyms: 1-(Trimethylsilyl)cyclopropyl phenyl sulfide; 1-(三甲基硅基)环丙基苯基硫醚

Database IDs

• CAS Number: 74379-74-1
• MDL Number: MFCD00009942
• PubChem SID: 162233016
• PubChem CID: 552870

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9932
• LogD (pH = 7.4): 4.9932
• Log P: 4.9932
• Molar Refractivity: 61.9465 cm^3
• Polarizability: 26.656322 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H18SSi