Mrv0541 02241205062D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1197

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu]S[Cu]

> <INCHI_IDENTIFIER>
InChI=1S/2Cu.S

> <INCHI_KEY>
JESPAFKOCOFQIN-UHFFFAOYSA-N

> <FORMULA>
Cu2S

> <MOLECULAR_WEIGHT>
159.157

> <EXACT_MASS>
157.831272848

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.876953115466655

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(cupriosulfanyl)copper

> <JCHEM_LOGP>
-0.8855

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.789183428270663

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
5.7558

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(cupriosulfanyl)copper

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1197

> <NAME>
Copper(I) sulfide

> <CAS>
22205-45-4

> <SYNONYMS>
Copper(+1) Cation Sulfide; Copper(I) sulphide; Cuprasulfide; Cuprous sulfide; Dicopper monosulfide; Dicopper sulfide; Dicopper sulphide; Kupfer(I)-sulfid

> <TYPES>
Inorganic Compound; Copper Compound; Industrial/Workplace Toxin; Natural Compound

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