Mrv1652306031608272D          

 10 10  0  0  0  0            999 V2000
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 10  5  2  0  0  0  0
 10  6  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044669

> <DATABASE_NAME>
chemdb

> <SMILES>
O=S1(=O)CS(=O)(=O)OCO1

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O6S2/c3-9(4)2-10(5,6)8-1-7-9/h1-2H2

> <INCHI_KEY>
GWAOOGWHPITOEY-UHFFFAOYSA-N

> <FORMULA>
C2H4O6S2

> <MOLECULAR_WEIGHT>
188.17

> <EXACT_MASS>
187.944930197

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
13.650160745088948

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,5,2lambda6,4lambda6-dioxadithiane-2,2,4,4-tetrone

> <ALOGPS_LOGP>
-1.35

> <JCHEM_LOGP>
-0.83232675

> <ALOGPS_LOGS>
-0.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
86.74000000000001

> <JCHEM_REFRACTIVITY>
28.390600000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.45e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,5,2lambda6,4lambda6-dioxadithiane-2,2,4,4-tetrone

> <JCHEM_VEBER_RULE>
0

> <NAME>
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

> <CAS>
99591-74-9

$$$$