1-Methylethyl 2,5-dichloro-4-thiazolecarboxylate
Basic information
- CAS
135925-34-7- Standard SMILES
CC(C)OC(=O)c1nc(Cl)sc1Cl- InChIKey
GDFCGCJIMMYCFH-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2NO2S
- Average molar mass
- 240.11 g/mol
- Monoisotopic mass
- 238.957455
Names & identifiers
- Preferred name
- 1-Methylethyl 2,5-dichloro-4-thiazolecarboxylate
- IUPAC
- propan-2-yl 2,5-dichloro-1,3-thiazole-4-carboxylate
Names & synonyms
1-Methylethyl 2,5-dichloro-4-thiazolecarboxylateSCHEMBL9860567DTXSID301238625135925-34-7propan-2-yl 2,5-dichloro-1,3-thiazole-4-carboxylate
Database identifiers
- CAS
135925-34-7- PubChem CID
- 19986178
- DTXSID
DTXSID301238625
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
1 records
Compound notes
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