Mrv1652305271900052D          

  3  2  0  0  0  0            999 V2000
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB015482

> <DATABASE_NAME>
foodb

> <SMILES>
S=C=S

> <INCHI_IDENTIFIER>
InChI=1S/CS2/c2-1-3

> <INCHI_KEY>
QGJOPFRUJISHPQ-UHFFFAOYSA-N

> <FORMULA>
CS2

> <MOLECULAR_WEIGHT>
76.141

> <EXACT_MASS>
75.94414138

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
6.791183445095887

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanedithione

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
1.9455820593333333

> <ALOGPS_LOGS>
-1.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
22.3662

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbon disulfide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015482

> <GENERIC_NAME>
Carbon disulfide

$$$$