200,000+ products from a single source!
sales@angenechem.com
89542-68-7 | Benzothiazolium, 6-methyl-3-(2-naphthalenylmethyl)-, bromide
CAS No: 89542-68-7 Catalog No: AG00401I MDL No:
Product Description
Catalog Number:
AG00401I
Chemical Name:
Benzothiazolium, 6-methyl-3-(2-naphthalenylmethyl)-, bromide
CAS Number:
89542-68-7
Molecular Formula:
C19H16BrNS
Molecular Weight:
370.3060
IUPAC Name:
6-methyl-3-(naphthalen-2-ylmethyl)-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C19H16NS.BrH/c1-14-6-9-18-19(10-14)21-13-20(18)12-15-7-8-16-4-2-3-5-17(16)11-15;/h2-11,13H,12H2,1H3;1H/q+1;/p-1
InChI Key:
FIBLMMBIFJBMRP-UHFFFAOYSA-M
SMILES:
Cc1ccc2c(c1)sc[n+]2Cc1ccc2c(c1)cccc2.[Br-]
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.019g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.308g/mol
Monoisotopic Mass:
369.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.