Molecule ID: 86278114

IUPAC Name: ethyl 4-chloro-2-methylsulfanyl-1,3-diazinane-5-carboxylate

Description: The molecule is a pyrimidinecarboxylate ester that is the ethyl ester of 4-chloro-2-(methylsulfanyl)hexahydropyrimidine-5-carboxylic acid. It is an amino acid ester, an aliphatic sulfide, an aminal and a pyrimidinecarboxylate ester.

SMILES: CCOC(=O)C1CNC(SC)NC1Cl

SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][N][C][Branch1][Ring1][S][C][N][C][Ring1][Branch2][Cl]

InChI: InChI=1S/C8H15ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h5-6,8,10-11H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 75.7 Ų
- LogP: 1.0