N-(4-acetylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Basic information
- CAS
330943-90-3- Standard SMILES
CC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1- InChIKey
MJPYWRZFACCVDJ-UHFFFAOYSA-N- Molecular formula
- C13H14N4O2S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.08374688
Names & identifiers
- Preferred name
- N-(4-acetylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
- IUPAC
- N-(4-acetylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- English name
- N-(4-acetylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
- Molecular formula
- C13H14N4O2S
- Molecular weight
- 290.34
Names & synonyms
N-(4-acetylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamideCBKinase1_000065CBKinase1_012465STK219752AKOS003290076N-(4-acetylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamideST50559244AP-853/40178315BRD-K53737184-001-01-4N-(4-acetylphenyl)-2-(4-methyl(1,2,4-triazol-3-ylthio))acetamideN1-(4-acetylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetamideN-(4-ACETYL-PHENYL)-2-(4-METHYL-4H-(1,2,4)TRIAZOL-3-YLSULFANYL)-ACETAMIDE
Show more names
Acetamide, N-(4-acetylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-
330943-90-3
Database identifiers
- CAS
330943-90-3- PubChem CID
- 703571
- EC Number
- 148-706-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.49 · 12.49±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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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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