39555-40-3
S-BETA-(4-PYRIDYLETHYL)-DL-PENICILLAMINE
NameS-BETA-(4-PYRIDYLETHYL)-DL-PENICILLAMINE
1Identification
【Name】
S-BETA-(4-PYRIDYLETHYL)-DL-PENICILLAMINE
【CAS】
【MDL】
MFCD00042790
【English Synonyms】
【Formula】
C12 H18 N2 O2 S
【MolWeight】
254.352
【Inchi】
InChI=1S/C12H18N2O2S/c1-12(2,10(13)11(15)16)17-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,5,8,13H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=FTTQQYAWBJGECY-UHFFFAOYSA-N
【SMILES】
CC(C)(C(C(=O)O)N)SCCc1ccncc1
【MOL File】
S-BETA-(4-PYRIDYLETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-BETA-(4-PYRIDYLETHYL)-DL-PENICILLAMINE.cml