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128457-00-1 | 1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro-
CAS No: 128457-00-1 Catalog No: AG000Y54 MDL No:
Product Description
Catalog Number:
AG000Y54
Chemical Name:
1,3-Dithiolo[4,5-b][1,4]dioxin-2-thione, 5,6-dihydro-
CAS Number:
128457-00-1
Molecular Formula:
C5H4O2S3
Molecular Weight:
192.2791
IUPAC Name:
5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxine-2-thione
InChI:
InChI=1S/C5H4O2S3/c8-5-9-3-4(10-5)7-2-1-6-3/h1-2H2
InChI Key:
BPUFOIWSJHRPCW-UHFFFAOYSA-N
SMILES:
S=c1sc2c(s1)OCCO2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.937g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.265g/mol
Monoisotopic Mass:
191.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 5,6-Dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxine-2-thione. | Acta crystallographica. Section E, Structure reports online 20110601 |
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