200,000+ products from a single source!
sales@angenechem.com
77450-62-5 | 1,3,2-Benzodithiazole, 2-hydroxy-, 1,1,3,3-tetraoxide
CAS No: 77450-62-5 Catalog No: AG005LLE MDL No:
Product Description
Catalog Number:
AG005LLE
Chemical Name:
1,3,2-Benzodithiazole, 2-hydroxy-, 1,1,3,3-tetraoxide
CAS Number:
77450-62-5
Molecular Formula:
C6H5NO5S2
Molecular Weight:
235.2376
IUPAC Name:
2-hydroxy-1λ6,3λ6,2-benzodithiazole 1,1,3,3-tetraoxide
InChI:
InChI=1S/C6H5NO5S2/c8-7-13(9,10)5-3-1-2-4-6(5)14(7,11)12/h1-4,8H
InChI Key:
ISMWWXXQYWXQMQ-UHFFFAOYSA-N
SMILES:
ON1S(=O)(=O)c2c(S1(=O)=O)cccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.961g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.228g/mol
Monoisotopic Mass:
234.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.