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128347-04-6 | [1,3]Dithiolo[4,5-d]-1,3-dithiol-2-one, 5,6-dihydro-
CAS No: 128347-04-6 Catalog No: AG000Y05 MDL No:
Product Description
Catalog Number:
AG000Y05
Chemical Name:
[1,3]Dithiolo[4,5-d]-1,3-dithiol-2-one, 5,6-dihydro-
CAS Number:
128347-04-6
Molecular Formula:
C4H2OS4
Molecular Weight:
194.3181
IUPAC Name:
5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-one
InChI:
InChI=1S/C5H4O3S2/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2
InChI Key:
RGJVGESZVKITEG-UHFFFAOYSA-N
SMILES:
O=c1sc2c(s1)SCS2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.204g/mol
Monoisotopic Mass:
175.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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