2H-thiete

• ChemBase ID: 129856
• Molecular Formular: C3H4S
• Molecular Mass: 72.12886
• Monoisotopic Mass: 72.00337113
• SMILES: C1C=CS1
• Canonical SMILES: C1SC=C1
• InChI: InChI=1S/C3H4S/c1-2-4-3-1/h1-2H,3H2
• InChIKey: HPINPCFOKNNWNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-thiete
• IUPAC Traditional name: thiete
• Synonyms: Thiete

Database IDs

• PubChem SID: 162224142
• PubChem CID: 3415867
• Wikipedia Title: Thiete

CALCULATED PROPERTIES

• Acid pKa: 13.249575
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.860878
• LogD (pH = 7.4): 0.8608774
• Log P: 0.860878
• Molar Refractivity: 22.061 cm^3
• Polarizability: 8.362746 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true