2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
Basic information
- CAS
298218-02-7- Standard SMILES
Cc1cc(C)nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1- InChIKey
VYSKBXGIMJYMOB-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3S
- Average molar mass
- 318.35 g/mol
- Monoisotopic mass
- 318.07866149
Names & identifiers
- Preferred name
- 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
- English name
- 2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-(3-nitrophenyl)acetamide
- Molecular formula
- C14H14N4O3S
- Molecular weight
- 318.35
Names & synonyms
298218-02-72-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(3-nitrophenyl)acetamide2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide2-((4,6-Dimethyl-2-pyrimidinyl)thio)-N-(3-nitrophenyl)acetamide2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-{3-nitrophenyl}acetamideVYSKBXGIMJYMOB-UHFFFAOYSA-NDTXSID701369896MFCD00818915STK361792AKOS005105636JS-1063
Show more names
ST51061499AA-768/332440392-(4,6-dimethylpyrimidin-2-ylthio)-N-(3-nitrophenyl)acetamideAcetamide, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(3-nitrophenyl)-
Database identifiers
- CAS
298218-02-7- PubChem CID
- 677668
- DTXSID
DTXSID701369896
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Boiling point
- 552.6 · 552.6±50.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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