200,000+ products from a single source!
sales@angenechem.com
25991-39-3 | Benzothiazole, 5-[(difluoromethyl)sulfonyl]-2-(methylthio)-
CAS No: 25991-39-3 Catalog No: AG002RB3 MDL No:
Product Description
Catalog Number:
AG002RB3
Chemical Name:
Benzothiazole, 5-[(difluoromethyl)sulfonyl]-2-(methylthio)-
CAS Number:
25991-39-3
Molecular Formula:
C9H7F2NO2S3
Molecular Weight:
295.3492
IUPAC Name:
5-(difluoromethylsulfonyl)-2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H7F2NO2S3/c1-15-9-12-6-4-5(2-3-7(6)16-9)17(13,14)8(10)11/h2-4,8H,1H3
InChI Key:
NCLPBQXAIOVFPV-UHFFFAOYSA-N
SMILES:
CSc1sc2c(n1)cc(cc2)S(=O)(=O)C(F)F
NSC Number:
124196
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.961g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.337g/mol
Monoisotopic Mass:
294.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.