N-(3-chloro-4-methylphenyl)-2-(2-pyridinylsulfanyl)acetamide
Basic information
- CAS
329079-86-9- Standard SMILES
Cc1ccc(NC(=O)CSc2ccccn2)cc1Cl- InChIKey
BQVAQOUSAUIQSV-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2OS
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.0437119
Names & identifiers
- Preferred name
- N-(3-chloro-4-methylphenyl)-2-(2-pyridinylsulfanyl)acetamide
- IUPAC
- N-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
- English name
- N-(3-Chloro-4-methylphenyl)-2-(2-pyridinylsulfanyl)acetamide
- Molecular formula
- C14H13ClN2OS
- Molecular weight
- 292.78
Names & synonyms
329079-86-9N-(3-chloro-4-methylphenyl)-2-(2-pyridinylsulfanyl)acetamideMFCD00955012N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylsulfanyl)acetamideN-(3-chloro-4-methylphenyl)-2-pyridin-2-ylsulfanylacetamideAKOS002487558JS-1321ST019206AA-768/36088001SR-01000309632SR-01000309632-1Z18886608
Show more names
Acetamide, N-(3-chloro-4-methylphenyl)-2-(2-pyridinylthio)-
N-(3-chloro-4-methylphenyl)-2-(2-pyridylthio)acetamideN-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylthio)acetamideN-(3-chloro-4-methyl-phenyl)-2-(2-pyridylsulfanyl)acetamide
Database identifiers
- CAS
329079-86-9- PubChem CID
- 670684
- EC Number
- 153-143-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 493.5 · 493.5±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 12.72 · 12.72±0.70(Predicted)
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%)
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Related reactions
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Compound notes
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