Mrv0541 02241204372D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
  2  4  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1764

> <DATABASE_NAME>
t3db

> <SMILES>
BrS(Br)=O

> <INCHI_IDENTIFIER>
InChI=1S/Br2OS/c1-4(2)3

> <INCHI_KEY>
HFRXJVQOXRXOPP-UHFFFAOYSA-N

> <FORMULA>
Br2OS

> <MOLECULAR_WEIGHT>
207.872

> <EXACT_MASS>
205.803660606

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
9.941508556660336

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfurooyl dibromide

> <JCHEM_LOGP>
1.2620932373333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-9.793836573475309

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
24.6691

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
thionyl bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1764

> <NAME>
Thionyl bromide

> <CAS>
507-16-4

> <SYNONYMS>
SOBr2; Thionyl dibromide

> <TYPES>
Inorganic Compound; Non-Metal; Bromide Compound; Industrial/Workplace Toxin; Synthetic Compound

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