Basic information
- CAS
94237-79-3- Standard SMILES
CCOC(=O)c1ccc(Nc2nnns2)cc1- InChIKey
DIPPCEAQUKJAEA-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2S
- Average molar mass
- 250.28 g/mol
- Monoisotopic mass
- 250.05244675
Names & identifiers
- Preferred name
- Ethyl 4-((1,2,3,4-thiatriazol-5-yl)amino)benzoate
- IUPAC
- ethyl 4-(thiatriazol-5-ylamino)benzoate
Names & synonyms
94237-79-3ethyl 4-((1,2,3,4-thiatriazol-5-yl)amino)benzoateEthyl 4-[(1,2,3,4-thiatriazol-5-yl)amino]benzoateSCHEMBL9011537DTXSID40599504AKOS027465611
Database identifiers
- CAS
94237-79-3- PubChem CID
- 19745751
- DTXSID
DTXSID40599504
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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