926198-93-8
4-METHYL-6-PHENETHYLSULFANYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-METHYL-6-PHENETHYLSULFANYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC18 H16 N2 O2 S2
1Identification
【Name】
4-METHYL-6-PHENETHYLSULFANYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09043174
【EnglishSynonyms】
【pro_formula】
C18 H16 N2 O2 S2
【pro_molWeight】
356.468
【Inchi】
InChI=1S/C18H16N2O2S2/c1-12-15(18(21)22)17(20-16(19-12)14-8-5-10-23-14)24-11-9-13-6-3-2-4-7-13/h2-8,10H,9,11H2,1H3,(H,21,22)
【InChIKey】
InChIKey=SRKWIYCILWLJOY-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2cccs2)SCCc3ccccc3)C(=O)O
【MOL File】
4-METHYL-6-PHENETHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-6-PHENETHYLSULFANYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID.cml