Basic information
- CAS
1023298-55-6- Standard SMILES
CCOC(=O)c1csc(-n2nnc3ccccc32)n1- InChIKey
GYBSCKBWCRLIBG-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.05244675
Names & identifiers
- Preferred name
- Ethyl 2-(1H-benzotriazol-1-yl)-4-thiazolecarboxylate
- IUPAC
- ethyl 2-(benzotriazol-1-yl)-1,3-thiazole-4-carboxylate
Names & synonyms
1023298-55-6SCHEMBL2848839DTXSID901217661DB-141854Ethyl 2-(1H-benzotriazol-1-yl)-4-thiazolecarboxylateEthyl 2-(1H-benzotriazol-1-yl)-1,3-thiazole-4-carboxylateEthyl 2-(1H-benzo[d][1,2,3]triazol-1-yl)thiazole-4-carboxylate
Database identifiers
- CAS
1023298-55-6- PubChem CID
- 68415552
- DTXSID
DTXSID901217661
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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