Basic information
- CAS
255874-78-3- Standard SMILES
O=C(O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1- InChIKey
DDKSZHVERDDFMO-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O3S
- Average molar mass
- 296.73 g/mol
- Monoisotopic mass
- 296.00224083
Names & identifiers
- Preferred name
- [2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetic acid
- IUPAC
- 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
- English name
- 2-[2-[(4-Chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
- Molecular formula
- C12H9ClN2O3S
- Molecular weight
- 296.73
Names & synonyms
255874-78-3[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetic acid2-(2-(4-chlorobenzamido)thiazol-4-yl)acetic acid2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic Acid{2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl}acetic acidMFCD008293192-{2-[(4-chlorophenyl)carbonylamino]-1,3-thiazol-4-yl}acetic acid2-[2-[(4-Chlorobenzoyl)amino)-1,3-thiazol-4-yl]acetic acid[2-(4-chlorobenzamido)-1,3-thiazol-4-yl]acetic acidOprea1_100331SCHEMBL3544268CHEMBL4741321
Show more names
4-Thiazoleacetic acid, 2-[(4-chlorobenzoyl)amino]-
DTXSID40350359DDKSZHVERDDFMO-UHFFFAOYSA-NSBB027488AKOS000128467CS-0117011ST50450138EN300-2359902-(2-(4-chlorobenzamido)thiazol-4-yl)aceticacid
Database identifiers
- CAS
255874-78-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
41 records
Compound notes
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