(propylsulfanyl)carbonitrile; silanone

• ChemBase ID: 137427
• Molecular Formular: C4H9NOSSi
• Molecular Mass: 147.27086
• Monoisotopic Mass: 147.01741145
• SMILES: CCCSC#N.O=[SiH2]
• Canonical SMILES: CCCSC#N.O=[SiH2]
• InChI: InChI=1S/C4H7NS.H2OSi/c1-2-3-6-4-5;1-2/h2-3H2,1H3;2H2
• InChIKey: GZFXKJLGTMVSRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (propylsulfanyl)carbonitrile; silanone
• IUPAC Traditional name: propylsulfanylcarbonitrile; silicon monoxide
• Synonyms: 3-(Thiocyanato)propyl-functionalized silica gel; 3-(硫氰基)丙基官能化硅胶

Database IDs

• CAS Number: 1173018-37-5
• MDL Number: MFCD03095972
• PubChem SID: 162231690
• PubChem CID: 45052149

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6683145
• LogD (pH = 7.4): 1.6683145
• Log P: 1.6683145
• Molar Refractivity: 29.32 cm^3
• Polarizability: 11.043396 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Particle Size: 200-400 mesh; 60 Å
• Surface Area: 500 m2/g
• Extent of Labeling: 0.8 mmol/g loading

DETAILS

Sigma Aldrich - 537942

Application
Scavenges amines.