Completing data — usually done within a minute
Basic information
- CAS
16696-81-4- Standard SMILES
CCC=S- InChIKey
UXBLKIPIXRLLBH-UHFFFAOYSA-N- Molecular formula
- C3H6S
- Average molar mass
- 74.15 g/mol
- Monoisotopic mass
- 74.01902136
Names & identifiers
- Preferred name
- Propanethial
- IUPAC
- propanethial
Names & synonyms
propanethial16696-81-4RefChem:374549DTXCID201391602DTXSID70963875ThiopropionaldehydSCHEMBL76286SCHEMBL103775SCHEMBL103776SCHEMBL167116SCHEMBL3233017SCHEMBL15406223
Show more names
UXBLKIPIXRLLBH-UHFFFAOYSA-NDTXSID701377796AKOS015897367
Database identifiers
- CAS
16696-81-4- PubChem CID
- 138345
- DTXSID
DTXSID701377796- Nikkaji
- J450.090C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 17
Related reactions
6 records
Compound notes
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