200,000+ products from a single source!
sales@angenechem.com
16311-68-5 | Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, bromide (1:1)
CAS No: 16311-68-5 Catalog No: AG001TSE MDL No:
Product Description
Catalog Number:
AG001TSE
Chemical Name:
Thiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, bromide (1:1)
CAS Number:
16311-68-5
Molecular Formula:
C13H16BrNOS
Molecular Weight:
314.2412
IUPAC Name:
2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;bromide
InChI:
InChI=1S/C13H16NOS.BrH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
InChI Key:
UMJPGEPKNLGAPW-UHFFFAOYSA-M
SMILES:
OCCc1sc[n+](c1C)Cc1ccccc1.[Br-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.241g/mol
Monoisotopic Mass:
313.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.