Mrv1533004191520082D          

 15 17  0  0  0  0            999 V2000
    3.4719   -3.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -3.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919   -2.8001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594   -2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7268   -2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0594   -1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3919   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719   -0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7268   -1.0052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568    0.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693    1.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0367    1.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818    0.4468    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
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017656

> <DATABASE_NAME>
chemdb

> <SMILES>
S1C=CC=C1C1=CC=C(S1)C1=CC=CS1

> <INCHI_IDENTIFIER>
InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

> <INCHI_KEY>
KXSFECAJUBPPFE-UHFFFAOYSA-N

> <FORMULA>
C12H8S3

> <MOLECULAR_WEIGHT>
248.38

> <EXACT_MASS>
247.97881378

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
26.50501626818871

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,5-bis(thiophen-2-yl)thiophene

> <ALOGPS_LOGP>
5.11

> <JCHEM_LOGP>
4.595846745666666

> <ALOGPS_LOGS>
-3.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
66.7842

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
terthiophene

> <JCHEM_VEBER_RULE>
1

> <NAME>
alpha-Terthiophene

> <CAS>
1081-34-1

> <SYNONYMS>
5-(thiophen-2-yl)-2,2'-bithiophene

$$$$