Basic information
- CAS
55315-32-7- Standard SMILES
COc1ccc(-c2nc(CCl)cs2)cc1OC- InChIKey
ZSIIOHCIYAMPJW-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2S
- Average molar mass
- 269.75 g/mol
- Monoisotopic mass
- 269.0277275
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole
- IUPAC
- 4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole
- English name
- 4-(CHLOROMETHYL)-2-(3,4-DIMETHOXYPHENYL)-1,3-THIAZOLE HYDROCHLORIDE
- Molecular formula
- C12H12ClNO2S
- Molecular weight
- 269.75
Names & synonyms
55315-32-74-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole2-(3,4-dimethoxyphenyl)-4-chloromethylthiazoleSCHEMBL6194691CHEMBL1622198DTXSID40366470ZSIIOHCIYAMPJW-UHFFFAOYSA-NAKOS0051991774-(Chloromethyl)-2-(3,4-dimethoxyphenyl)thiazoleThiazole, 4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-
Database identifiers
- CAS
55315-32-7- PubChem CID
- 2079396
- DTXSID
DTXSID40366470- ChEMBL
CHEMBL1622198
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
Related reactions
9 records
Compound notes
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