Basic information
- CAS
19017-40-4- Standard SMILES
CC1=CC(C)(C)NC(=S)N1c1ccc(C)cc1- InChIKey
BNKQZGSNBIHNBJ-UHFFFAOYSA-N- Molecular formula
- C14H18N2S
- Average molar mass
- 246.37 g/mol
- Monoisotopic mass
- 246.11906976
Names & identifiers
- Preferred name
- 3,4-Dihydro-4,4,6-trimethyl-1-(4-methylphenyl)-2(1H)-pyrimidinethione
- IUPAC
- 4,6,6-trimethyl-3-(4-methylphenyl)-1H-pyrimidine-2-thione
Names & synonyms
19017-40-42(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-tolyl)-4,4,6-trimethyl-DTXSID60172494RefChem:1065755DTXCID10949853,4-Dihydro-4,4,6-trimethyl-1-(4-methylphenyl)-2(1H)-pyrimidinethione4,4,6-trimethyl-1-(4-methylphenyl)-3,4-dihydropyrimidine-2(1H)-thioneNSC498253,4-Dihydro-1-(p-tolyl)-4,4,6-trimethyl-2(1H)-pyrimidinethione2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4-methylphenyl)-4,4,6-trimethyl-MLS000525858CHEMBL1506078
Show more names
HMS2474N094,4,6-Trimethyl-1-p-tolyl-3,4-dihydro-1H-pyrimidine-2-thioneNSC 49825NSC-49825STK396798AKOS000735977AKOS016024914NCGC00245092-01
Database identifiers
- CAS
19017-40-4- PubChem CID
- 704292
- DTXSID
DTXSID60172494- ChEMBL
CHEMBL1506078
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…