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807363-94-6 | 1,3-Dithiolo[4,5-b][1,4]dithiin-5,6-diol, tetrahydro-
CAS No: 807363-94-6 Catalog No: AG0051PI MDL No:
Product Description
Catalog Number:
AG0051PI
Chemical Name:
1,3-Dithiolo[4,5-b][1,4]dithiin-5,6-diol, tetrahydro-
CAS Number:
807363-94-6
Molecular Formula:
C5H8O2S4
Molecular Weight:
228.3758
IUPAC Name:
3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-diol
InChI:
InChI=1S/C5H8O2S4/c6-2-3(7)11-5-4(10-2)8-1-9-5/h2-7H,1H2
InChI Key:
HDKVAXKUWVXAMD-UHFFFAOYSA-N
SMILES:
OC1SC2SCSC2SC1O
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.941g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.357g/mol
Monoisotopic Mass:
227.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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