Mrv1652306131722052D          

  2  0  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 S   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1  -2   2   2
M  END
> <DATABASE_ID>
DB11211

> <DATABASE_NAME>
drugbank

> <SMILES>
[S--].[Ca++]

> <INCHI_IDENTIFIER>
InChI=1S/Ca.S/q+2;-2

> <INCHI_KEY>
AGVJBLHVMNHENQ-UHFFFAOYSA-N

> <FORMULA>
CaS

> <MOLECULAR_WEIGHT>
72.14

> <EXACT_MASS>
71.9346621

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
2.92579404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium sulfanediide

> <ALOGPS_LOGP>
0.21

> <JCHEM_LOGP>
-0.03749999999999998

> <ALOGPS_LOGS>
-0.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
5.7558

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
calcium sulfanediide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB11211

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Calcium sulfide

> <SYNONYMS>
Calcium sulphide

$$$$