4,6-Dimethyl-2-(phenylthio)pyrimidine
Basic information
- CAS
92902-64-2- Standard SMILES
Cc1cc(C)nc(Sc2ccccc2)n1- InChIKey
IARGOCVSIPNAQQ-UHFFFAOYSA-N- Molecular formula
- C12H12N2S
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.07211956
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2-(phenylthio)pyrimidine
- IUPAC
- 4,6-dimethyl-2-phenylsulfanylpyrimidine
Names & synonyms
4,6-dimethyl-2-(phenylthio)pyrimidine92902-64-24,6-dimethyl-2-(phenylsulfanyl)pyrimidineWYE-163716-ASCHEMBL1814417SCHEMBL10517955SCHEMBL10767567HMS1677M214,6-dimethyl-2-phenylthiopyrimidineSTK764125AKOS000565243CCG-105755
Show more names
ST037673AG-690/13701281SR-01000424220SR-01000424220-1
Database identifiers
- CAS
92902-64-2- PubChem CID
- 723503
- EC Number
- 114-517-5
- Nikkaji
- J2.472.323B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
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]
P264, P270, P301+P317, P330, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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