Basic information
- Standard SMILES
CCOC(=O)c1c(C)nsc1Cl- InChIKey
FFYIPODLFCOCSQ-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO2S
- Average molar mass
- 205.66 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-chloro-3-methyl-isothiazole-4-carboxylate
- IUPAC
- ethyl 5-chloro-3-methyl-1,2-thiazole-4-carboxylate
Names & synonyms
SCHEMBL3381063FFYIPODLFCOCSQ-UHFFFAOYSA-Nethyl 5-chloro-3-methyl-isothiazole-4-carboxylate
Database identifiers
- PubChem CID
- 12371905
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Related reactions
3 records
Compound notes
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