4-Methyl-2,6-bis(methylsulfanyl)pyrimidine
Basic information
- CAS
6308-41-4- Standard SMILES
CSc1cc(C)nc(SC)n1- InChIKey
GYMNCTNUNURQSP-UHFFFAOYSA-N- Molecular formula
- C7H10N2S2
- Average molar mass
- 186.3 g/mol
- Monoisotopic mass
- 186.02854067
Names & identifiers
- Preferred name
- 4-Methyl-2,6-bis(methylsulfanyl)pyrimidine
- IUPAC
- 4-methyl-2,6-bis(methylsulfanyl)pyrimidine
- English name
- 4-Methyl-2,6-bis(methylsulfanyl)pyrimidine
- Molecular formula
- C7H10N2S2
- Molecular weight
- 186.29
Names & synonyms
4-methyl-2,6-bis(methylsulfanyl)pyrimidine6308-41-44-Methyl-2,6-bis(methylthio)pyrimidinePyrimidine, 4-methyl-2,6-bis(methylthio)-NSC42032SCHEMBL5766295DTXSID60285477NSC-42032CS-0045956F81662
Database identifiers
- CAS
6308-41-4- PubChem CID
- 237939
- DTXSID
DTXSID60285477
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 309.7 · 309.7±22.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 2.55 · 2.55±0.30(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
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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