4-(Carbamoylamino)-1,2,5-thiadiazole-3-carboxylic acid
Basic information
- CAS
7501-16-8- Standard SMILES
NC(=O)Nc1nsnc1C(=O)O- InChIKey
OUVCNFSGCDIEBN-UHFFFAOYSA-N- Molecular formula
- C4H4N4O3S
- Average molar mass
- 188.17 g/mol
- Monoisotopic mass
- 188.00041118
Names & identifiers
- Preferred name
- 4-(Carbamoylamino)-1,2,5-thiadiazole-3-carboxylic acid
- IUPAC
- 4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxylic acid
- English name
- 1,2,5-Thiadiazole-3-carboxylicacid,4-[(aminocarbonyl)amino]-(9CI)
- Molecular formula
- C4H4N4O3S
- Molecular weight
- 188.16
Names & synonyms
7501-16-8NSC4080844-(carbamoylamino)-1,2,5-thiadiazole-3-carboxylic acidDTXSID50324965NSC-4080841,2,5-Thiadiazole-3-carboxylic acid, 4-[(aminocarbonyl)amino]-1,2,5-Thiadiazole-3-carboxylicacid,4-[(aminocarbonyl)amino]-(9CI)
Database identifiers
- CAS
7501-16-8- PubChem CID
- 348651
- DTXSID
DTXSID50324965
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 396.5 · 396.5±27.0 °C(Predicted)
- Density
- 1.917 · 1.917±0.06 g/cm3(Predicted)
- pka
- 2.24 · 2.24±0.36(Predicted)
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Compound notes
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