201593-39-7
PHENHEXYL ISOTHIOCYANATE N-ACETYL-L-CYSTEINE CONJUGATE
NamePHENHEXYL ISOTHIOCYANATE N-ACETYL-L-CYSTEINE CONJUGATE
1Identification
【Name】
PHENHEXYL ISOTHIOCYANATE N-ACETYL-L-CYSTEINE CONJUGATE
【CAS】
【MDL】
MFCD02752800
【English Synonyms】
【Formula】
C18 H26 N2 O3 S2
【MolWeight】
382.546
【Inchi】
InChI=1S/C18H26N2O3S2/c1-14(21)20-16(17(22)23)13-25-18(24)19-12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,16H,2-3,5,8-9,12-13H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t16-/m0/s1
【InChIKey】
InChIKey=JDQWXJJJBAFWGA-INIZCTEOSA-N
【SMILES】
CC(=O)N[C@@H](CSC(=S)NCCCCCCc1ccccc1)C(=O)O
【MOL File】
PHENHEXYL ISOTHIOCYA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PHENHEXYL ISOTHIOCYANATE N-ACETYL-L-CYSTEINE CONJUGATE.cml