Mrv1572004191602372D          

  7  7  0  0  0  0            999 V2000
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  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
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009221

> <DATABASE_NAME>
chemdb

> <SMILES>
SC1=NN=C(S)S1

> <INCHI_IDENTIFIER>
InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

> <INCHI_KEY>
BIGYLAKFCGVRAN-UHFFFAOYSA-N

> <FORMULA>
C2H2N2S3

> <MOLECULAR_WEIGHT>
150.23

> <EXACT_MASS>
149.938011594

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
13.49610267930952

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,4-thiadiazole-2,5-dithiol

> <ALOGPS_LOGP>
0.76

> <JCHEM_LOGP>
1.3032062683333332

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.429857530828023

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.766135489228895

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9752125066938783

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
36.355399999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,4-thiadiazole-2,5-dithiol

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,3,4-Thiadiazolidine-2,5-dithione

> <CAS>
1072-71-5

> <SYNONYMS>
1,3,4-thiadiazole-2,5-dithiol; 2,5-Dimercapto-1,3,4-thiadiazole

$$$$