Basic information
- CAS
16696-81-4- Standard SMILES
C/C=C/S- InChIKey
RIZGKEIRSQLIBK-NSCUHMNNSA-N- Molecular formula
- C3H6S
- Average molar mass
- 74.15 g/mol
- Monoisotopic mass
- 74.01902136
Overview
Prop-1-ene-1-thiol is the thioenol of propene. It derives from a hydride of a propene.
Names & identifiers
- Preferred name
- 1-Propene-1-thiol
- IUPAC
- (E)-prop-1-ene-1-thiol
Names & synonyms
1-Propene-1-thiol1-propenethiol1-Propenylthiol(E)-prop-1-ene-1-thiol925-89-3Thiopropionaldehyde(1E)-1-Propene-1-thiol1-Mercapto-1-propeneRefChem:77181RIZGKEIRSQLIBK-NSCUHMNNSA-NThiopropanalprop-1-ene-1-thiol
Show more names
propene-1-thiol1-mercaptopropeneSCHEMBL1419226SCHEMBL3857957SCHEMBL11648855CHEBI:59723Q27126870
Database identifiers
- CAS
16696-81-4、925-89-3- PubChem CID
- 5366351
- ChEBI
CHEBI:59723- Nikkaji
- J514.339J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 22.5
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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