1000395-01-6
(S)-1-(1-(2-cyclopropylthiazol-4-yl)-2-(4-nitrophenyl)ethyl)thiourea
Name(S)-1-(1-(2-cyclopropylthiazol-4-yl)-2-(4-nitrophenyl)ethyl)thiourea
1Identification
【Name】
(S)-1-(1-(2-cyclopropylthiazol-4-yl)-2-(4-nitrophenyl)ethyl)thiourea
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H16N4O2S2
【MolWeight】
348.443
【Inchi】
InChI=1S/C15H16N4O2S2/c16-15(22)18-12(13-8-23-14(17-13)10-3-4-10)7-9-1-5-11(6-2-9)19(20)21/h1-2,5-6,8,10,12H,3-4,7H2,(H3,16,18,22)/t12-/m0/s1
【InChIKey】
InChIKey=VTVASRNEPPSYOY-LBPRGKRZSA-N
【SMILES】
C1(CC1)C=1SC=C(N1)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)N
【MOL File】
(S)-1-(1-(2-cyclopro….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)-1-(1-(2-cyclopropylthiazol-4-yl)-2-(4-nitrophenyl)ethyl)thiourea.cml