3-Thioureido-benzenesulfonamide
Basic information
- CAS
5657-42-1- Standard SMILES
NC(=S)Nc1cccc(S(N)(=O)=O)c1- InChIKey
RHQOJJGJLHNWMI-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S2
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.01361889
Names & identifiers
- Preferred name
- 3-Thioureido-benzenesulfonamide
- IUPAC
- (3-sulfamoylphenyl)thiourea
Names & synonyms
5657-42-1Benzenesulfonamide, 3-[(aminothioxomethyl)amino]-3-Thioureido-benzenesulfonamideSCHEMBL4522845RHQOJJGJLHNWMI-UHFFFAOYSA-NDTXSID0012461763-(Carbamothioylamino)benzene-1-sulfonamide3-[(Aminothioxomethyl)amino]benzenesulfonamide
Database identifiers
- CAS
5657-42-1- PubChem CID
- 43148917
- DTXSID
DTXSID001246176
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
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Related reactions
3 records
Compound notes
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