Basic information
- CAS
2807-37-6- Standard SMILES
N#CS/C=C/C(N)=O- InChIKey
ZLQULXQLBYUISA-OWOJBTEDSA-N- Molecular formula
- C4H4N2OS
- Average molar mass
- 128.15 g/mol
- Monoisotopic mass
- 128.00443393
Names & identifiers
- Preferred name
- [(E)-3-amino-3-oxoprop-1-enyl] thiocyanate
- IUPAC
- [(E)-3-amino-3-oxoprop-1-enyl] thiocyanate
Names & synonyms
SCHEMBL9220187NSC145098NSC-1450982807-37-6
Database identifiers
- CAS
2807-37-6- PubChem CID
- 5778062
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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