Propanoic acid, 3-(nitrosothio)-
Basic information
- CAS
67616-46-0- Standard SMILES
O=NSCCC(=O)O- InChIKey
CJSRFRAVAGCWRN-UHFFFAOYSA-N- Molecular formula
- C3H5NO3S
- Average molar mass
- 135.14 g/mol
- Monoisotopic mass
- 134.9990142
Names & identifiers
- Preferred name
- Propanoic acid, 3-(nitrosothio)-
- IUPAC
- 3-nitrososulfanylpropanoic acid
Names & synonyms
Propanoic acid, 3-(nitrosothio)-67616-46-03-(NITROSOSULFANYL)PROPANOIC ACIDSCHEMBL672850DTXSID80431797s-nitroso-3-mercaptopropionic acidAKOS006380547
Database identifiers
- CAS
67616-46-0- PubChem CID
- 9855486
- DTXSID
DTXSID80431797- Nikkaji
- J524.619I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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