Mrv1572004191601272D          

 12 12  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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
    1.1018   -1.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272   -1.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018    1.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    1.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 S   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
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  2  0  0  0  0
 11  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  4  1  0  0  0  0
 12  6  1  0  0  0  0
 12  9  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004551

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=C(C)S(=O)(=O)CCS1(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3

> <INCHI_KEY>
PHVNLLCAQHGNKU-UHFFFAOYSA-N

> <FORMULA>
C6H10O4S2

> <MOLECULAR_WEIGHT>
210.26

> <EXACT_MASS>
210.00205115

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
18.809177267272553

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,6-dimethyl-2,3-dihydro-1λ⁶,4λ⁶-dithiine-1,1,4,4-tetrone

> <ALOGPS_LOGP>
-0.93

> <JCHEM_LOGP>
-1.5087360520000004

> <ALOGPS_LOGS>
-1.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
68.28

> <JCHEM_REFRACTIVITY>
46.652600000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.87e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethipin

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,3,-Dihydro-5,6-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide

> <CAS>
55290-64-7

> <SYNONYMS>
5,6-dimethyl-2,3-dihydro-1λ⁶,4λ⁶-dithiine-1,1,4,4-tetrone; Dimethipin

$$$$