CHEBI:44864 - propane-1,3-dithiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name propane-1,3-dithiol
ChEBI ID CHEBI:44864
Definition A dithiol that is propane substituted by thiol groups at positions 1 ans 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C3H8S2
Net Charge 0
Average Mass 108.22762
Monoisotopic Mass 108.00674
InChI InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey ZJLMKPKYJBQJNH-UHFFFAOYSA-N
SMILES SCCCS
ChEBI Ontology
Outgoing propane-1,3-dithiol (CHEBI:44864) is a dithiol (CHEBI:23853)
IUPAC Name
propane-1,3-dithiol
Synonyms Sources
1,3-dimercaptopropane ChemIDplus
1,3-propanedimercaptan ChemIDplus
1,3-PROPANEDITHIOL PDBeChem
dithiotrimethyleneglycol NIST Chemistry WebBook
trimethylene dimercaptan NIST Chemistry WebBook
trimethylenedithioglycol NIST Chemistry WebBook
trimethylenedithiol NIST Chemistry WebBook
Manual Xrefs Databases
1,3-Propanedithiol Wikipedia
HMDB0031632 HMDB
PDT PDBeChem
View more database links
Registry Numbers Types Sources
1071197 Beilstein Registry Number ChemIDplus
1071197 Reaxys Registry Number Reaxys
109-80-8 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
10956461 PubMed citation Europe PMC
Last Modified
03 April 2014