N-(3-Chloro-4-methylphenyl)-2-((4,6-dimethylpyrimidin-2-yl)thio)acetamide
Basic information
- CAS
312266-80-1- Standard SMILES
Cc1cc(C)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1- InChIKey
IDNKCWSLVCWDMZ-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3OS
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.070261
Names & identifiers
- Preferred name
- N-(3-Chloro-4-methylphenyl)-2-((4,6-dimethylpyrimidin-2-yl)thio)acetamide
- IUPAC
- N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Names & synonyms
312266-80-1N-(3-Chloro-4-methylphenyl)-2-((4,6-dimethylpyrimidin-2-yl)thio)acetamideN-(3-chloro-4-methylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamideN-(3-chloro-4-methylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetamideN-(3-CHLORO-4-METHYLPHENYL)-2-((4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL)ACETAMIDEN-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamideSTK361793AKOS000564407JS-2647SB58183N-(3-Chloro-4-methyl-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-acetamideCS-0362179
Show more names
ST50256876AG-205/114470782-(4,6-dimethylpyrimidin-2-ylthio)-N-(3-chloro-4-methylphenyl)acetamideN-(3-chloro-4-methyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
Database identifiers
- CAS
312266-80-1- PubChem CID
- 808918
- EC Number
- 130-563-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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