200,000+ products from a single source!
sales@angenechem.com
130266-79-4 | 1,2-Benzisothiazol-3(2H)-one, 2-[(4-methoxyphenyl)methyl]-
CAS No: 130266-79-4 Catalog No: AG000U7B MDL No:
Product Description
Catalog Number:
AG000U7B
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-[(4-methoxyphenyl)methyl]-
CAS Number:
130266-79-4
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-1,2-benzothiazol-3-one
InChI:
InChI=1S/C15H13NO2S/c1-18-12-8-6-11(7-9-12)10-16-15(17)13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3
InChI Key:
BBUMBHPLXMNIMZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1sc2c(c1=O)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.