2-Methylpyridine-4-thiol
Basic information
- CAS
100367-70-2- Standard SMILES
Cc1cc(S)ccn1- InChIKey
LFXSILHGWCAMTQ-UHFFFAOYSA-N- Molecular formula
- C6H7NS
- Average molar mass
- 125.19 g/mol
Names & identifiers
- Preferred name
- 2-Methylpyridine-4-thiol
- IUPAC
- 2-methyl-1H-pyridine-4-thione
- English name
- 4-Pyridinethiol,2-methyl-(6CI)
- Molecular formula
- C6H7NS
- Molecular weight
- 125.19
Names & synonyms
100367-70-22-methylpyridine-4-thiol4(1h)-pyridinethione,2-methyl-2-METHYL-1H-PYRIDINE-4-THIONE832129-74-54-Pyridinethiol,2-methyl-(6CI)2-methylpyridine-4(1h)-thione4(1H)-Pyridinethione, 2-methyl-4-Pyridinethiol, 2-methyl-SCHEMBL2646550SCHEMBL2646552SCHEMBL3451087
Show more names
SCHEMBL5602409SCHEMBL7668920DB-283937DB-324689EN300-1735364
Database identifiers
- CAS
100367-70-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 147 °C · 147 °C
- Boiling point
- 204.9 · 204.9±20.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 2.31 · 2.31±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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