5H-1,4,2-dithiazole

• ChemBase ID: 125132
• Molecular Formular: C2H3NS2
• Molecular Mass: 105.18192
• Monoisotopic Mass: 104.9706911
• SMILES: C1SC=NS1
• Canonical SMILES: S1CSC=N1
• InChI: InChI=1S/C2H3NS2/c1-3-5-2-4-1/h1H,2H2
• InChIKey: MNNJLAZJQBWSST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H-1,4,2-dithiazole
• IUPAC Traditional name: 1,4,2-dithiazole
• Synonyms: 1,4,2-Dithiazole

Database IDs

• PubChem SID: 162219482
• PubChem CID: 21943157
• Chemspider ID: 11438410
• Wikipedia Title: 1,4,2-Dithiazole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9756242
• LogD (pH = 7.4): 0.9845805
• Log P: 0.9846959
• Molar Refractivity: 27.1958 cm^3
• Polarizability: 10.609061 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true