200,000+ products from a single source!
sales@angenechem.com
89542-65-4 | Benzothiazolium, 3-[(4-methoxyphenyl)methyl]-6-methyl-, bromide
CAS No: 89542-65-4 Catalog No: AG00401J MDL No:
Product Description
Catalog Number:
AG00401J
Chemical Name:
Benzothiazolium, 3-[(4-methoxyphenyl)methyl]-6-methyl-, bromide
CAS Number:
89542-65-4
Molecular Formula:
C16H16BrNOS
Molecular Weight:
350.2733
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C16H16NOS.BrH/c1-12-3-8-15-16(9-12)19-11-17(15)10-13-4-6-14(18-2)7-5-13;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1
InChI Key:
JANOSRNBXPYHIR-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)C[n+]1csc2c1ccc(c2)C.[Br-]
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.014g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.274g/mol
Monoisotopic Mass:
349.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.