Basic information
- CAS
497250-36-9- Standard SMILES
CC(=S)/C(C)=N/O- InChIKey
CQAAEVNBUPFNAM-HWKANZROSA-N- Molecular formula
- C4H7NOS
- Average molar mass
- 117.17 g/mol
- Monoisotopic mass
- 117.02483502
Names & identifiers
- Preferred name
- 3-Nitrosobut-2-ene-2-thiol
- IUPAC
- (3E)-3-hydroxyiminobutane-2-thione
Names & synonyms
3-nitrosobut-2-ene-2-thiolDTXSID10786106497250-36-9
Database identifiers
- CAS
497250-36-9- PubChem CID
- 137052051
- DTXSID
DTXSID10786106
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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