• ChemBase ID: 135303
• Molecular Formular: COS
• Molecular Mass: 62.074861
• Monoisotopic Mass: 61.971232
• SMILES: C(=[18O])=S
• Canonical SMILES: [18O]=C=S
• InChI: InChI=1S/COS/c2-1-3/i2+2
• InChIKey: JJWKPURADFRFRB-HQMMCQRPSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Carbonyl-18O sulfide; 羰基硫-18O

Database IDs

• MDL Number: MFCD01075648
• PubChem SID: 162229578
• PubChem CID: 71309210

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83331245
• LogD (pH = 7.4): 0.83331245
• Log P: 0.83331245
• Molar Refractivity: 14.3753 cm^3
• Polarizability: 5.8268104 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2

Product Information

• Isotopic Purity: 95 atom % 18O
• Linear Formula: C18OS

DETAILS

Sigma Aldrich - 609749

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.