6-Methoxypyridine-2-carbothioamide
Basic information
- CAS
134789-88-1- Standard SMILES
COc1cccc(C(N)=S)n1- InChIKey
LEIFRCSFCUIXIW-UHFFFAOYSA-N- Molecular formula
- C7H8N2OS
- Average molar mass
- 168.22 g/mol
- Monoisotopic mass
- 168.03573406
Names & identifiers
- Preferred name
- 6-Methoxypyridine-2-carbothioamide
- IUPAC
- 6-methoxypyridine-2-carbothioamide
- English name
- 6-methoxypyridine-2-carbothioamide
- Molecular formula
- C7H8N2OS
- Molecular weight
- 168.22
Names & synonyms
6-methoxypyridine-2-carbothioamide134789-88-1JFA78988AKOS013920898CS-0245181EN300-3007696-Methoxy-2-pyridinecarbothioamide2-Pyridinecarbothioamide, 6-methoxy-
Database identifiers
- CAS
134789-88-1- PubChem CID
- 15076239
- EC Number
- 190-234-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 303.3 · 303.3±52.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 11.7 · 11.70±0.29(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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