sulfanylidenemethanone

• ChemBase ID: 126415
• Molecular Formular: COS
• Molecular Mass: 60.0751
• Monoisotopic Mass: 59.96698562
• SMILES: O=C=S
• Canonical SMILES: O=C=S
• InChI: InChI=1S/COS/c2-1-3
• InChIKey: JJWKPURADFRFRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfanylidenemethanone
• IUPAC Traditional name: carbonyl sulfide
• Synonyms: Carbonyl sulfide; Carbonyl sulfide; Carbon oxysulfide; 羰基硫; 氧硫化碳

Database IDs

• CAS Number: 463-58-1
• EC Number: 207-340-0
• MDL Number: MFCD00011521
• PubChem SID: 162220749; 24857761
• PubChem CID: 10039
• CHEBI ID: 16573
• Chemspider ID: 9644
• KEGG ID: C07331
• Wikipedia Title: Carbonyl_sulfide

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

• Apperance: gas
• Melting Point: -138 °C(lit.); -138.8 °C (134 K)
• Boiling Point: -50 °C(lit.); -50.2 °C (223 K)
• Density: 2.51 g/L
• Vapor Pressure: 9034 mmHg ( 21 °C)
• Vapor Density: 2.1 (20 °C, vs air)

Safety Information

• RTECS: FG6400000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2204
• German water hazard class: 3
• Hazard Class: 2.3
• Risk Statements: 11-20-36/37/38
• Safety Statements: 16-26-38
• EU Index: Not listed
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• Explode Limits: 11.9-29 %
• GHS Hazard statements: H220-H280-H315-H319-H331-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338-P311-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2204 2.3

Product Information

• Purity: ≥97.5%
• Linear Formula: COS

DETAILS

Sigma Aldrich - 295124

Packaging
227 g in steel cylinder
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.