Mrv0541 02241205412D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0876

> <DATABASE_NAME>
t3db

> <SMILES>
S=[Sb]S[Sb]=S

> <INCHI_IDENTIFIER>
InChI=1S/3S.2Sb

> <INCHI_KEY>
IHBMMJGTJFPEQY-UHFFFAOYSA-N

> <FORMULA>
S3Sb2

> <MOLECULAR_WEIGHT>
339.72

> <EXACT_MASS>
337.723848158

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.053548761110136

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(sulfanylidenestibanyl)sulfanyl]stibanethione

> <JCHEM_LOGP>
1.3913000000000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.092143751387281

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
24.623399999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(sulfanylidenestibanyl)sulfanyl]stibanethione

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0876

> <NAME>
Antimony trisulfide

> <CAS>
1345-04-6

> <SYNONYMS>
Antimonous sufide; Antimony sesquisulfide; Antimony sulfide; Antimony vermilion; Antimony(III) sulfide; Black antimony; Diantimony trisulfide; Stibnite; Sulphuret of antimony

> <TYPES>
Inorganic Compound; Antimony Compound; Pollutant; Food Toxin; Industrial/Workplace Toxin; Synthetic Compound

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