Mrv0541 05061306052D          

  4  3  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM005536

> <DATABASE_NAME>
chemdb

> <SMILES>
SCCS

> <INCHI_IDENTIFIER>
InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2

> <INCHI_KEY>
VYMPLPIFKRHAAC-UHFFFAOYSA-N

> <FORMULA>
C2H6S2

> <MOLECULAR_WEIGHT>
94.199

> <EXACT_MASS>
93.991091572

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
10.248379609834622

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethane-1,2-dithiol

> <ALOGPS_LOGP>
0.84

> <JCHEM_LOGP>
0.9822447913333332

> <ALOGPS_LOGS>
-1.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.583850843790062

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.81252931715675

> <JCHEM_PKA_STRONGEST_BASIC>
-9.588044109484688

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
26.9188

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.19e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2-ethanedithiol

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,2-ETHANEDITHIOL

> <CAS>
540-63-6

$$$$