Basic information
- CAS
77628-53-6- Standard SMILES
O=C(O)c1c(Cl)nc2n1CCS2- InChIKey
GTPABNRXRIHSFE-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2S
- Average molar mass
- 204.63 g/mol
- Monoisotopic mass
- 203.9760263
Names & identifiers
- Preferred name
- 6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
- IUPAC
- 6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Names & synonyms
77628-53-66-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid6-chloro-2,3-dihydro-Imidazo[2,1-b]thiazole-5-carboxylic acidNSC315241DTXSID20317405AKOS004909149NSC-315241
Database identifiers
- CAS
77628-53-6- PubChem CID
- 329980
- DTXSID
DTXSID20317405
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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