200,000+ products from a single source!
sales@angenechem.com
111865-11-3 | 2,1-Benzisothiazole-3(1H)-thione, 1-(phenylmethyl)-
CAS No: 111865-11-3 Catalog No: AG007DGR MDL No:
Product Description
Catalog Number:
AG007DGR
Chemical Name:
2,1-Benzisothiazole-3(1H)-thione, 1-(phenylmethyl)-
CAS Number:
111865-11-3
Molecular Formula:
C14H11NS2
Molecular Weight:
257.3738
IUPAC Name:
1-benzyl-2,1-benzothiazole-3-thione
InChI:
InChI=1S/C14H11NS2/c16-14-12-8-4-5-9-13(12)15(17-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
LENMUZFTCGZCEP-UHFFFAOYSA-N
SMILES:
S=c1sn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.369g/mol
Monoisotopic Mass:
257.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.