Basic information
- CAS
5332-65-0- Standard SMILES
N#CSc1cc(S(N)(=O)=O)ccc1N- InChIKey
FLKAYQGGVIEYHT-UHFFFAOYSA-N- Molecular formula
- C7H7N3O2S2
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 228.99796882
Names & identifiers
- Preferred name
- 2-Amino-5-sulfamoylphenyl thiocyanate
- IUPAC
- (2-amino-5-sulfamoylphenyl) thiocyanate
Names & synonyms
5332-65-02-amino-5-sulfamoylphenyl thiocyanateNSC543DTXSID90277042NSC-5432-amino-5-(aminosulfonyl)phenyl thiocyanateTHIOCYANIC ACID, 2-AMINO-5-SULFAMOYLPHENYL ESTER
Database identifiers
- CAS
5332-65-0- PubChem CID
- 219344
- DTXSID
DTXSID90277042
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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