960157-87-3
(S)-4-(1-isothiocyanato-2-(4-nitrophenyl)ethyl)-2-phenylthiazole
Name(S)-4-(1-isothiocyanato-2-(4-nitrophenyl)ethyl)-2-phenylthiazole
1Identification
【Name】
(S)-4-(1-isothiocyanato-2-(4-nitrophenyl)ethyl)-2-phenylthiazole
【CAS】
【MDL】
【English Synonyms】
【Formula】
C18H13N3O2S2
【MolWeight】
367.445
【Inchi】
InChI=1S/C18H13N3O2S2/c22-21(23)15-8-6-13(7-9-15)10-16(19-12-24)17-11-25-18(20-17)14-4-2-1-3-5-14/h1-9,11,16H,10H2/t16-/m0/s1
【InChIKey】
InChIKey=CBBVPEYJGLWZEO-INIZCTEOSA-N
【SMILES】
N(=C=S)[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C=1N=C(SC1)C1=CC=CC=C1
【MOL File】
(S)-4-(1-isothiocyan….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(S)-4-(1-isothiocyanato-2-(4-nitrophenyl)ethyl)-2-phenylthiazole.cml