926192-88-3
4-ETHYLSULFANYL-6-METHYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-ETHYLSULFANYL-6-METHYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC12 H12 N2 O2 S2
1Identification
【Name】
4-ETHYLSULFANYL-6-METHYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09042749
【EnglishSynonyms】
【pro_formula】
C12 H12 N2 O2 S2
【pro_molWeight】
280.371
【Inchi】
InChI=1S/C12H12N2O2S2/c1-3-17-11-9(12(15)16)7(2)13-10(14-11)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=OSEYLPBYGWFLGY-UHFFFAOYSA-N
【SMILES】
CCSc1c(c(nc(n1)c2cccs2)C)C(=O)O
【MOL File】
4-ETHYLSULFANYL-6-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-ETHYLSULFANYL-6-METHYL-2-THIOPHEN-2-YLPYRIMIDINE-5-CARBOXYLIC ACID.cml