Basic information
- CAS
4590-59-4- Standard SMILES
Cc1nsc(N)c1S(=O)(=O)O- InChIKey
QMTYNEHTQXCVQL-UHFFFAOYSA-N- Molecular formula
- C4H6N2O3S2
- Average molar mass
- 194.2 g/mol
- Monoisotopic mass
- 193.9819844
Names & identifiers
- Preferred name
- 5-Amino-3-methyl-1,2-thiazole-4-sulfonic acid
- IUPAC
- 5-amino-3-methyl-1,2-thiazole-4-sulfonic acid
Names & synonyms
4590-59-45-Amino-3-methyl-1,2-thiazole-4-sulfonic acidDTXSID60607478RefChem:301020DTXCID205582355-Amino-3-methyl-isothiazole-4-sulfonic acid4-Isothiazolesulfonic acid, 5-amino-3-methyl-MFCD183820025-Amino-3-methylisothiazole-4-sulfonic acidSCHEMBL11007549F475714
Database identifiers
- CAS
4590-59-4- PubChem CID
- 20462000
- DTXSID
DTXSID60607478
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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