2-Pyridineacetamide, N,N-dimethylthio-
Basic information
- CAS
40808-67-1- Standard SMILES
CN(C)C(=S)Cc1ccccn1- InChIKey
MQYNCHTZNVAJLR-UHFFFAOYSA-N- Molecular formula
- C9H12N2S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.07211956
Names & identifiers
- Preferred name
- 2-Pyridineacetamide, N,N-dimethylthio-
- IUPAC
- N,N-dimethyl-2-pyridin-2-ylethanethioamide
- English name
- 2-Pyridineethanethioamide, N,N-dimethyl-
- Molecular formula
- C9H12N2S
- Molecular weight
- 180.27
Names & synonyms
40808-67-12-Pyridineacetamide, N,N-dimethylthio-RefChem:10646482-Pyridineethanethioamide, N,N-dimethyl-N,N-Dimethyl-2-pyridinethioacetamideBRN 0124054N,N-Dimethylthio-2-pyridineacetamideSCHEMBL11258176DTXSID60961224N,N-Dimethyl(pyridin-2-yl)ethanethioamide
Database identifiers
- CAS
40808-67-1- PubChem CID
- 218566
- DTXSID
DTXSID60961224- Nikkaji
- J66.529K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 108 · 108-112 °C
- Boiling point
- 271.9 · 271.9±42.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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