57502-57-5
(Z)-1-TOSYL-2,3,6,7-TETRAHYDRO-1H-AZEPINE
Name(Z)-1-TOSYL-2,3,6,7-TETRAHYDRO-1H-AZEPINE
1Identification
【Name】
(Z)-1-TOSYL-2,3,6,7-TETRAHYDRO-1H-AZEPINE
【CAS】
【MDL】
MFCD17676922
【English Synonyms】
【Formula】
C13 H17 N O2 S
【MolWeight】
251.348
【Inchi】
InChI=1S/C13H17NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h2-3,6-9H,4-5,10-11H2,1H3
【InChIKey】
InChIKey=NZLYCWGZDCVFJG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2CCC=CCC2
【MOL File】
(Z)-1-TOSYL-2,3,6,7-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(Z)-1-TOSYL-2,3,6,7-TETRAHYDRO-1H-AZEPINE.cml