98074-19-2
8-(2-(METHYLTHIO)ETHYL)-1-ALPHA-H,5-ALPHA-H-NORTROPAN-3-BETA-OL BENZOA TE HYDROCHLORIDE
Name8-(2-(METHYLTHIO)ETHYL)-1-ALPHA-H,5-ALPHA-H-NORTROPAN-3-BETA-OL BENZOA TE HYDROCHLORIDE
pro_formulaC17 H23 N O2 S . Cl H
1Identification
【Name】
8-(2-(METHYLTHIO)ETHYL)-1-ALPHA-H,5-ALPHA-H-NORTROPAN-3-BETA-OL BENZOA TE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01711259
【EnglishSynonyms】
【pro_formula】
C17 H23 N O2 S . Cl H
【pro_molWeight】
341.901
【Inchi】
InChI=1S/C17H23NO2S.ClH/c1-21-10-9-18-14-7-8-15(18)12-16(11-14)20-17(19)13-5-3-2-4-6-13;/h2-6,14-16H,7-12H2,1H3;1H/t14-,15+,16-;
【InChIKey】
InChIKey=QSTBFLCOIQGMBU-ZIGIEQIVSA-N
【SMILES】
CSCCN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)c3ccccc3.Cl
【MOL File】
8-(2-(METHYLTHIO)ETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
8-(2-(METHYLTHIO)ETHYL)-1-ALPHA-H,5-ALPHA-H-NORTROPAN-3-BETA-OL BENZOA TE HYDROCHLORIDE.cml