Basic information
- CAS
6336-67-0- Standard SMILES
Nc1ccc(S(=O)(=O)C(=O)O)cc1- InChIKey
PVTKQEANFIMURH-UHFFFAOYSA-N- Molecular formula
- C7H7NO4S
- Average molar mass
- 201.2 g/mol
- Monoisotopic mass
- 201.00957888
Names & identifiers
- Preferred name
- (4-Aminophenyl)sulfanecarboxylic acid dioxide
- IUPAC
- (4-aminophenyl)sulfonylformic acid
Names & synonyms
(4-Aminophenyl)sulfanecarboxylic acid dioxide6336-67-0(4-aminophenyl)sulfonylformic acidYC294MZ52HNSC 39340UNII-YC294MZ52HNSC39340NSC-39340Formic acid, sulfanilyl-DTXSID30212755(4-Aminobenzene-1-sulfonyl)(hydroxy)methanone
Database identifiers
- CAS
6336-67-0- PubChem CID
- 236646
- DTXSID
DTXSID30212755- UNII
- YC294MZ52H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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