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112520-09-9

112520-09-9 | Benzo[1,3]dithiole 1,1,3,3-tetraoxide

CAS No: 112520-09-9 Catalog No: AG0037YI MDL No:

Product Description

Catalog Number:
AG0037YI
Chemical Name:
Benzo[1,3]dithiole 1,1,3,3-tetraoxide
CAS Number:
112520-09-9
Molecular Formula:
C7H6O4S2
Molecular Weight:
218.2501
IUPAC Name:
1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
InChI:
InChI=1S/C7H6O4S2/c8-12(9)5-13(10,11)7-4-2-1-3-6(7)12/h1-4H,5H2
InChI Key:
RMLMPZCKCXISTB-UHFFFAOYSA-N
SMILES:
O=S1(=O)CS(=O)(=O)c2c1cccc2

Properties

Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.971g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.241g/mol
Monoisotopic Mass:
217.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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