3-Methylpyridine-4-thiol
Basic information
- CAS
10351-13-0- Standard SMILES
Cc1c[nH]ccc1=S- InChIKey
SLPGDCCMTYJWSE-UHFFFAOYSA-N- Molecular formula
- C6H7NS
- Average molar mass
- 125.19 g/mol
- Monoisotopic mass
- 125.0299204
Names & identifiers
- Preferred name
- 3-Methylpyridine-4-thiol
- IUPAC
- 3-methyl-1H-pyridine-4-thione
- English name
- 3-Methyl-4-pyridinethiol
- Molecular formula
- C6H7NS
- Molecular weight
- 125.19
Names & synonyms
10351-13-03-METHYLPYRIDINE-4-THIOLRefChem:504336995-900-13-METHYL-4-PYRIDINETHIOL3-methyl-1H-pyridine-4-thione3-Methylpyridine-4(1H)-thione953018-17-2MFCD13175381SCHEMBL2643282SCHEMBL2643285AKOS005258690
Show more names
4-Pyridinethiol, 3-methyl-3-Methyl-4(3H)-pyridinethione
AT181493-methyl-1,4-dihydropyridine-4-thioneDB-357187
Database identifiers
- CAS
10351-13-0- PubChem CID
- 21297530
- EC Number
- 995-900-1
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
- 159 · 159-160 °C
- Boiling point
- 217.2 · 217.2±20.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 2.42 · 2.42±0.48(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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
Uses3-Methyl-4(3H)-pyridinethione is is a reagent used in the preparation of antibacterial agents.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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