3-Hydroxy-4H-pyran-4-thione

Base Information

• Chemical Name: 3-Hydroxy-4H-pyran-4-thione
• CAS No.: 89282-30-4
• Molecular Formula: C5H4O2S
• Molecular Weight: 128.152
• ChEMBL ID: CHEMBL1649594
• DSSTox Substance ID: DTXSID10463243
• Nikkaji Number: J1.976.224F
• Wikidata: Q82288086
• Mol file: 89282-30-4.mol

Synonyms:3-Hydroxy-4H-pyran-4-thione;3-hydroxypyran-4-thione;89282-30-4;CHEMBL1649594;SCHEMBL1298196;DTXSID10463243;PVQRWPNLEMQCSX-UHFFFAOYSA-N;BDBM50335806;EN300-4710403

Chemical Property of 3-Hydroxy-4H-pyran-4-thione

Chemical Property:

• Melting Point: 53 °C
• Boiling Point: 207.9±50.0 °C(Predicted)
• PSA: 65.46000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 1.71470
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.99320054
• Heavy Atom Count: 8
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=C(C1=S)O