(butylsulfanyl)copper

• ChemBase ID: 137986
• Molecular Formular: C4H9CuS
• Molecular Mass: 152.72526
• Monoisotopic Mass: 151.97209379
• SMILES: CCCCS[Cu]
• Canonical SMILES: CCCCS[Cu]
• InChI: InChI=1S/C4H10S.Cu/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1/p-1
• InChIKey: WJXDCSSGTLPZDK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (butylsulfanyl)copper
• IUPAC Traditional name: (butylsulfanyl)copper
• Synonyms: 1-Butanethiol copper(I) salt; Copper(I) 1-butanethiolate; 1-丁硫醇 铜(I) 盐; 1-丁基硫醇铜

Database IDs

• CAS Number: 4860-18-8
• MDL Number: MFCD00015693
• PubChem SID: 24864327; 162232245
• PubChem CID: 10997237

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0628
• LogD (pH = 7.4): 1.0628
• Log P: 1.0628
• Molar Refractivity: 27.4194 cm^3
• Polarizability: 14.030245 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• 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
• 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

• Linear Formula: CH3(CH2)3SCu