Home Other Building Blocks 1,3,2-Benzodioxathiole, 2,2-dioxide

1,3,2-Benzodioxathiole, 2,2-dioxide

CAS No.:
4074-55-9
Catalog Number:
AG0075E8
Molecular Formula:
C6H4O4S
Molecular Weight:
172.1586
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Product Description
Catalog Number:
AG0075E8
Chemical Name:
1,3,2-Benzodioxathiole, 2,2-dioxide
CAS Number:
4074-55-9
Molecular Formula:
C6H4O4S
Molecular Weight:
172.1586
MDL Number:
MFCD00015885
IUPAC Name:
1,3,2λ6-benzodioxathiole 2,2-dioxide
InChI:
InChI=1S/C6H4O4S/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H
InChI Key:
ORZMSMCZBZARKY-UHFFFAOYSA-N
SMILES:
O=S1(=O)Oc2c(O1)cccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.983g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.154g/mol
Monoisotopic Mass:
171.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties