95834-98-3
2-(N-BOC)AMINO-2-(BENZO[B]THIOPHEN-3-YL)ACETIC ACID
Name2-(N-BOC)AMINO-2-(BENZO[B]THIOPHEN-3-YL)ACETIC ACID
1Identification
【Name】
2-(N-BOC)AMINO-2-(BENZO[B]THIOPHEN-3-YL)ACETIC ACID
【CAS】
【MDL】
MFCD17214498
【English Synonyms】
【Formula】
C15 H19 N3 O2 S
【MolWeight】
305.4
【Inchi】
InChI=1S/C15H19N3O2S/c1-15(2,3)18-14(16)17-12(13(19)20)10-8-21-11-7-5-4-6-9(10)11/h4-8,12H,1-3H3,(H,19,20)(H3,16,17,18)
【InChIKey】
InChIKey=AORMYTADAULAQB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)NC(=N)NC(c1csc2c1cccc2)C(=O)O
【MOL File】
2-(N-BOC)AMINO-2-(BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:-3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(N-BOC)AMINO-2-(BENZO[B]THIOPHEN-3-YL)ACETIC ACID.cml