134480-52-7
PYRIDINE, 4-(2-((1-METHYLPROPYL)THIO)ETHYL)-, ETHANEDIOATE (1:1)
NamePYRIDINE, 4-(2-((1-METHYLPROPYL)THIO)ETHYL)-, ETHANEDIOATE (1:1)
FormulaC11 H17 N S . C2 H2 O4
1Identification
【Name】
PYRIDINE, 4-(2-((1-METHYLPROPYL)THIO)ETHYL)-, ETHANEDIOATE (1:1)
【CAS】
【MDL】
MFCD00550951
【English Synonyms】
【Formula】
C11 H17 N S . C2 H2 O4
【MolWeight】
285.362
【Inchi】
InChI=1S/C11H17NS.C2H2O4/c1-3-10(2)13-9-6-11-4-7-12-8-5-11;3-1(4)2(5)6/h4-5,7-8,10H,3,6,9H2,1-2H3;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=YGMAOUKOXNOSDI-UHFFFAOYSA-N
【SMILES】
CCC(C)SCCc1ccncc1.C(=O)(C(=O)O)O
【MOL File】
PYRIDINE, 4-(2-((1-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYRIDINE, 4-(2-((1-METHYLPROPYL)THIO)ETHYL)-, ETHANEDIOATE (1:1).cml