26031-81-2
1-(2-HYDROXY-2-(THIOPHEN-2-YL)ETHYL)PYRIDIN-1-IUM BROMIDE
Name1-(2-HYDROXY-2-(THIOPHEN-2-YL)ETHYL)PYRIDIN-1-IUM BROMIDE
FormulaC11 H12 N O S . Br
1Identification
【Name】
1-(2-HYDROXY-2-(THIOPHEN-2-YL)ETHYL)PYRIDIN-1-IUM BROMIDE
【CAS】
【MDL】
MFCD20526501
【English Synonyms】
【Formula】
C11 H12 N O S . Br
【MolWeight】
286.192
【Inchi】
InChI=1S/C11H12NOS.BrH/c13-10(11-5-4-8-14-11)9-12-6-2-1-3-7-12;/h1-8,10,13H,9H2;1H/q+1;/p-1
【InChIKey】
InChIKey=FTBPKLXABJMVCX-UHFFFAOYSA-M
【SMILES】
c1cc[n+](cc1)CC(c2cccs2)O.[Br-]
【MOL File】
1-(2-HYDROXY-2-(THIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-HYDROXY-2-(THIOPHEN-2-YL)ETHYL)PYRIDIN-1-IUM BROMIDE.cml