851208-06-5
((3-CYANO-4-(2-FURYL)-6-METHYL-5-[(METHYLAMINO)CARBONYL]PYRIDIN-2-YL)THIO)ACETIC ACID
Name((3-CYANO-4-(2-FURYL)-6-METHYL-5-[(METHYLAMINO)CARBONYL]PYRIDIN-2-YL)THIO)ACETIC ACID
1Identification
【Name】
((3-CYANO-4-(2-FURYL)-6-METHYL-5-[(METHYLAMINO)CARBONYL]PYRIDIN-2-YL)THIO)ACETIC ACID
【CAS】
【MDL】
MFCD06375950
【English Synonyms】
【Formula】
C15 H13 N3 O4 S
【MolWeight】
331.351
【Inchi】
InChI=1S/C15H13N3O4S/c1-8-12(14(21)17-2)13(10-4-3-5-22-10)9(6-16)15(18-8)23-7-11(19)20/h3-5H,7H2,1-2H3,(H,17,21)(H,19,20)
【InChIKey】
InChIKey=OLQCSLRXURSJFW-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(n1)SCC(=O)O)C#N)c2ccco2)C(=O)NC
【MOL File】
((3-CYANO-4-(2-FURYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((3-CYANO-4-(2-FURYL)-6-METHYL-5-[(METHYLAMINO)CARBONYL]PYRIDIN-2-YL)THIO)ACETIC ACID.cml