Basic information
- CAS
10505-52-9- Standard SMILES
N=c1sccn1CC(=O)c1ccc(Cl)cc1- InChIKey
UGZNECZBRWIKSF-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2OS
- Average molar mass
- 252.72 g/mol
- Monoisotopic mass
- 252.0124118
Names & identifiers
- Preferred name
- 1-(4-Chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone
- IUPAC
- 1-(4-chlorophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
Names & synonyms
1-(4-chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone10505-52-9Oprea1_010504Oprea1_312173AKOS002232643
Database identifiers
- CAS
10505-52-9- PubChem CID
- 3563725
- EC Number
- 168-672-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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