4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
Basic information
- CAS
16325-43-2- Standard SMILES
CC1=CC(C)(C)NC(=S)N1c1ccccc1- InChIKey
XVHGXRIOJOSLFN-UHFFFAOYSA-N- Molecular formula
- C13H16N2S
- Average molar mass
- 232.35 g/mol
- Monoisotopic mass
- 232.10341969
Names & identifiers
- Preferred name
- 4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
- IUPAC
- 4,6,6-trimethyl-3-phenyl-1H-pyrimidine-2-thione
- English name
- 3,4-Dihydro-4,4,6-trimethyl-1-phenyl-2(1H)-pyrimidinethione
- Molecular formula
- C13H16N2S
- Molecular weight
- 232.34
Names & synonyms
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thioneRefChem:50758816325-43-2USAF K-17964,4,6-Trimethyl-1-phenyl-1,4-dihydropyrimidine-2-thiol4,6,6-trimethyl-3-phenyl-1H-pyrimidine-2-thione3,4-Dihydro-4,4,6-trimethyl-1-phenyl-2(1H)-pyrimidinethione4,4,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-phenyl-1-Phenyl-2-thio-4,6-trimethyl dihydropyrimidineNSC 322761-Phenyl-2-thio-4,4,6-trimethyl dihydropyrimidine
Show more names
1,4-DIHYDRO-1-PHENYL-4,4,6-TRIMETHYL-2-PYRIMIDINETHIOL
2(1H)-Pyrimidinethione,4-dihydro-4,4,6-trimethyl-1-phenyl-AI3-24609NSC498383,4-Dihydro-1-phenyl-4,4,6-trimethyl-2(1H)-pyrimidinethione4,4,6-trimethyl-1-phenylpyrimidine-2-thiolMLS000532332CHEMBL1320646DTXSID50936805
Database identifiers
- CAS
16325-43-2- PubChem CID
- 768560
- DTXSID
DTXSID50936805- ChEMBL
CHEMBL1320646- Nikkaji
- J51.405E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H413-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H319-H335-H413-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…