926214-45-1
4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09042965
【English Synonyms】
【Formula】
C14 H14 N2 O3 S
【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
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-HYDROXYETHYLSULFANYL)-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID.cml