200,000+ products from a single source!
sales@angenechem.com
77148-76-6 | Pyridinium, 1-methyl-2-[(2-oxo-2-phenylethyl)thio]-, bromide
CAS No: 77148-76-6 Catalog No: AG0055IH MDL No:
Product Description
Catalog Number:
AG0055IH
Chemical Name:
Pyridinium, 1-methyl-2-[(2-oxo-2-phenylethyl)thio]-, bromide
CAS Number:
77148-76-6
Molecular Formula:
C14H14BrNOS
Molecular Weight:
324.2361
IUPAC Name:
2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenylethanone;bromide
InChI:
InChI=1S/C14H14NOS.BrH/c1-15-10-6-5-9-14(15)17-11-13(16)12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
KWHPDFPJOBIIKQ-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)CSc1cccc[n+]1C.[Br-]
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.236g/mol
Monoisotopic Mass:
322.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.