Mrv0541 02241205382D          

 10 12  0  0  0  0            999 V2000
    0.1163   -2.0322    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -1.6585    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.9111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -0.1208    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -0.4945    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.2419    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.3012   -1.6156    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -1.2419    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -2.0322    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -0.4945    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  9  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000232

> <DATABASE_NAME>
chemdb

> <SMILES>
S1[As]2S[As]3S[As]1S[As](S2)S3

> <INCHI_IDENTIFIER>
InChI=1S/As4S6/c5-1-6-3-8-2(5)9-4(7-1)10-3

> <INCHI_KEY>
OUFDYFBZNDIAPD-UHFFFAOYSA-N

> <FORMULA>
As4S6

> <MOLECULAR_WEIGHT>
492.076

> <EXACT_MASS>
491.518809808

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.49630630258435

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tricyclo[3.3.1.1³,⁷]tetraarsathiane

> <JCHEM_LOGP>
6.687

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
34.5348

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
arsenic trisulfide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0276

> <NAME>
Arsenic trisulfide

> <CAS>
1303-33-9

> <SYNONYMS>
Arsenic red; Arsenic sesquisulfide; Arsenic sesquisulphide; Arsenic sulfide; Arsenic sulfide yellow; Arsenic sulphide; Arsenic sulphides; Arsenic tersulfide; Arsenic tersulphide; Arsenic trisulphide; Arsenic yellow; Arsenious sulfide; Arsenious sulphide; Arsenous sulfide; As2S3; Auripigment; Auripigmentum; C.I. Pigment Yellow 39; Diarsenic trisulfide; Diarsenic trisulphide; King's gold; Orpiment; Pigment Yellow 39; Sekio; SHIO; Yellow arsenic sulfide

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

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