sulfanylmethanedithioic acid

• ChemBase ID: 129862
• Molecular Formular: CH2S3
• Molecular Mass: 110.22158
• Monoisotopic Mass: 109.93186306
• SMILES: C(=S)(S)S
• Canonical SMILES: SC(=S)S
• InChI: InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
• InChIKey: HIZCIEIDIFGZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfanylmethanedithioic acid
• IUPAC Traditional name: thiocarbonic acid
• Synonyms: Trithiocarbonic acid; Thiocarbonic acid

Database IDs

• CAS Number: 584-10-1
• PubChem SID: 162224148
• PubChem CID: 68982
• Wikipedia Title: Thiocarbonic_acid

CALCULATED PROPERTIES

• Acid pKa: 1.0930514
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 0.017354097
• LogD (pH = 7.4): -0.11694494
• Log P: 2.1669497
• Molar Refractivity: 30.3167 cm^3
• Polarizability: 12.194287 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: red, oily liquid
• Melting Point: 246.3K
• Boiling Point: 331K
• Density: 1.483 g/cm^3(liquid)