926192-27-0
4-(BENZYLSULFANYL)-2,6-DIMETHYLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-(BENZYLSULFANYL)-2,6-DIMETHYLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC14 H14 N2 O2 S
1Identification
【Name】
4-(BENZYLSULFANYL)-2,6-DIMETHYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09042713
【EnglishSynonyms】
【pro_formula】
C14 H14 N2 O2 S
【pro_molWeight】
274.343
【Inchi】
InChI=1S/C14H14N2O2S/c1-9-12(14(17)18)13(16-10(2)15-9)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=SAIYIPZRRVVLQW-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)C)SCc2ccccc2)C(=O)O
【MOL File】
4-(BENZYLSULFANYL)-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(BENZYLSULFANYL)-2,6-DIMETHYLPYRIMIDINE-5-CARBOXYLIC ACID.cml