926214-81-5
4-METHYL-6-METHYLSULFANYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-METHYL-6-METHYLSULFANYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC13 H12 N2 O2 S
1Identification
【Name】
4-METHYL-6-METHYLSULFANYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09043170
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H12 N2 O2 S
【pro_molWeight】
260.316
【Inchi】
InChI=1S/C13H12N2O2S/c1-8-10(13(16)17)12(18-2)15-11(14-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=YKZCTQHDIXBVJE-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccccc2)SC)C(=O)O
【MOL File】
4-METHYL-6-METHYLSUL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-6-METHYLSULFANYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID.cml