Basic information
- CAS
616212-32-9- Standard SMILES
C=CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1Br- InChIKey
CVMSUHXPFGHSHY-UHFFFAOYSA-N- Molecular formula
- C15H15BrN2O2S
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 366.00376
Names & identifiers
- Preferred name
- Allyl 4-(2-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- prop-2-enyl 4-(2-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- allyl 4-(2-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- Molecular formula
- C15H15BrN2O2S
- Molecular weight
- 367.26
Names & synonyms
allyl 4-(2-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateSTK812678AKOS002195836AKOS016060772prop-2-enyl 4-(2-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylateAF-399/41703965prop-2-en-1-yl 4-(2-bromophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 4-(2-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 2-propen-1-yl ester
Database identifiers
- CAS
616212-32-9- PubChem CID
- 3317612
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Boiling point
- 435.2 · 435.2±55.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 10.89 · 10.89±0.70(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…