Mrv0541 02241219402D          

  8  9  0  0  0  0            999 V2000
   -0.3709   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709    1.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534    0.9480    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8659   -0.5355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534   -1.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023378

> <DATABASE_NAME>
chemdb

> <SMILES>
S1C=CC2=C1SC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C6H4S2/c1-3-7-6-5(1)2-4-8-6/h1-4H

> <INCHI_KEY>
YHBTXTFFTYXOFV-UHFFFAOYSA-N

> <FORMULA>
C6H4S2

> <MOLECULAR_WEIGHT>
140.226

> <EXACT_MASS>
139.975441508

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.91362707286954

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
thieno[2,3-b]thiophene

> <ALOGPS_LOGP>
3.09

> <JCHEM_LOGP>
2.9850160809999995

> <ALOGPS_LOGS>
-2.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.459906429944052

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
35.428399999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.25e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thieno[2,3-b]thiophene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Liquid thiophthene

> <CAS>
250-84-0

$$$$