24807
  -OEChem-09011818423D

  4  3  0     0  0  0  0  0  0999 V2000
   -1.9170   -0.7109   -0.2690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9168   -0.7113    0.2686 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934    0.7108    0.6496 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    0.7114   -0.6492 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14647

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PXJJSXABGXMUSU-UHFFFAOYSA-N/SDF?record_type=3d

> <SMILES>
ClSSCl

> <INCHI_IDENTIFIER>
InChI=1S/Cl2S2/c1-3-4-2

> <INCHI_KEY>
PXJJSXABGXMUSU-UHFFFAOYSA-N

> <FORMULA>
Cl2S2

> <MOLECULAR_WEIGHT>
135.02

> <EXACT_MASS>
133.8818477

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
9.804719604065907

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichlorodisulfane

> <ALOGPS_LOGP>
1.93

> <JCHEM_LOGP>
2.2723872966666665

> <ALOGPS_LOGS>
-1.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
23.7842

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.32e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disulfur dichloride

> <JCHEM_VEBER_RULE>
1

$$$$