propa-1,2-diene-1,3-dithione

• ChemBase ID: 126410
• Molecular Formular: C3S2
• Molecular Mass: 100.1621
• Monoisotopic Mass: 99.944142
• SMILES: C(=C=S)=C=S
• Canonical SMILES: S=C=C=C=S
• InChI: InChI=1S/C3S2/c4-2-1-3-5
• InChIKey: RMCQREAPGZPWGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propa-1,2-diene-1,3-dithione
• IUPAC Traditional name: propa-1,2-diene-1,3-dithione
• Synonyms: Carbon Subsulfide; Tricarbon Disulfide; Carbon subsulfide

Database IDs

• CAS Number: 627-34-9
• PubChem SID: 162220744
• PubChem CID: 11062317
• Chemspider ID: 9237470
• Wikipedia Title: Carbon_subsulfide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2513
• LogD (pH = 7.4): 2.2513
• Log P: 2.2513
• Molar Refractivity: 28.5493 cm^3
• Polarizability: 11.795635 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: red liquid
• Melting Point: -1°C
• Boiling Point: 90°C
• Density: 1.27 g cm^-3