2-sulfanylacetamide

• ChemBase ID: 89809
• Molecular Formular: C2H5NOS
• Molecular Mass: 91.1322
• Monoisotopic Mass: 91.00918479
• SMILES: NC(=O)CS
• Canonical SMILES: NC(=O)CS
• InChI: InChI=1S/C2H5NOS/c3-2(4)1-5/h5H,1H2,(H2,3,4)
• InChIKey: GYXHHICIFZSKKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-sulfanylacetamide
• IUPAC Traditional name: sulfacetamide; sulphacetamide
• Synonyms: 2-mercaptoacetamide (in Methanolic Ammonia Solution 10g/100ml approx.); 2-Mercaptoacetamide; 2-Thioacetamide approx 10% w/v solution in methanolic ammonia

Database IDs

• CAS Number: 758-08-7
• MDL Number: MFCD00068159
• PubChem SID: 162076665
• PubChem CID: 12961

CALCULATED PROPERTIES

• Acid pKa: 9.452701
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.80376786
• LogD (pH = 7.4): -0.80727595
• Log P: -0.8037229
• Molar Refractivity: 22.2951 cm^3
• Polarizability: 8.718877 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 12°C
• Density: 0.89

Safety Information

• Storage Warning: Highly Flammable/Toxic/Corrosive/Stench

Product Information

• Purity: 97%