thiirene

• ChemBase ID: 129858
• Molecular Formular: C2H2S
• Molecular Mass: 58.10228
• Monoisotopic Mass: 57.98772106
• SMILES: C1=CS1
• Canonical SMILES: C1=CS1
• InChI: InChI=1S/C2H2S/c1-2-3-1/h1-2H
• InChIKey: JTQAPFZZCXWQNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiirene
• IUPAC Traditional name: thiirene
• Synonyms: Thiirene

Database IDs

• PubChem SID: 162224144
• PubChem CID: 5461041
• Wikipedia Title: Thiirene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.3500417
• LogD (pH = 7.4): 0.3500417
• Log P: 0.3500417
• Molar Refractivity: 16.7823 cm^3
• Polarizability: 6.5234275 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true