926214-45-1
4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC14 H14 N2 O3 S
1Identification
【Name】
4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09042965
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H14 N2 O3 S
【pro_molWeight】
290.342
【Inchi】
InChI=1S/C14H14N2O3S/c1-9-11(14(18)19)13(20-8-7-17)16-12(15-9)10-5-3-2-4-6-10/h2-6,17H,7-8H2,1H3,(H,18,19)
【InChIKey】
InChIKey=NPGFVTWHFDSEDO-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccccc2)SCCO)C(=O)O
【MOL File】
4-(2-HYDROXYETHYLSUL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID.cml