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116341-76-5

116341-76-5 | 1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one

CAS No: 116341-76-5 Catalog No: AG000C8P MDL No:

Product Description

Catalog Number:
AG000C8P
Chemical Name:
1,3-Dithiolo[4,5-d][1,3,6]oxadithiepin-2-one
CAS Number:
116341-76-5
Molecular Formula:
C5H4O2S4
Molecular Weight:
224.3441
IUPAC Name:
[1,3]dithiolo[4,5-d][1,3,6]oxadithiepin-2-one
InChI:
InChI=1S/C5H4O2S4/c6-5-10-3-4(11-5)9-2-7-1-8-3/h1-2H2
InChI Key:
LDZFSKYPSHWMBE-UHFFFAOYSA-N
SMILES:
O=c1sc2c(s1)SCOCS2

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.909g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.325g/mol
Monoisotopic Mass:
223.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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