119004-72-7
METHYL 2-AMINO-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
NameMETHYL 2-AMINO-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
1Identification
【Name】
METHYL 2-AMINO-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD01922029
【English Synonyms】
【Formula】
C16 H17 N O2 S
【MolWeight】
287.381
【Inchi】
InChI=1S/C16H17NO2S/c1-19-16(18)14-12-8-7-11(9-13(12)20-15(14)17)10-5-3-2-4-6-10/h2-6,11H,7-9,17H2,1H3
【InChIKey】
InChIKey=BVXJDKFMMQTUGI-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c2c(sc1N)CC(CC2)c3ccccc3
【MOL File】
METHYL 2-AMINO-6-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-AMINO-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE.cml