Thiane | SBID = 1267 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 25.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.7
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 80.8
Sum Formula: C5H10S
M / g/mol: 102.2
Complexity: 30.0
Number of Conformers: 3.0

Identifiers

  • Tags: typical guest
  • Name: Thiane
  • Preferred Abbreviation: Thiane
  • IUPAC Name: thiane
  • CAS: 1613-51-0
  • CID: 15367
  • InChiKey: YPWFISCTZQNZAU-UHFFFAOYSA-N
  • InChi: InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
  • CanoSmiles: C1CCSCC1
  • IsoSmiles: C1CCSCC1