Mrv1652305261923582D          

 14 15  0  0  0  0            999 V2000
   -2.6563    3.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735    0.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7610    2.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    1.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5860    2.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735    1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3237    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5061    2.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9889    2.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8410    2.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1084    2.3436    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7215    1.7916    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01453

> <DATABASE_NAME>
YMDB

> <SMILES>
CC1=C(SSC2=C(C)OC=C2)C=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3

> <INCHI_KEY>
OHDFENKFSKIFBJ-UHFFFAOYSA-N

> <FORMULA>
C10H10O2S2

> <MOLECULAR_WEIGHT>
226.315

> <EXACT_MASS>
226.012220944

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
22.256614296825838

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

> <ALOGPS_LOGP>
3.81

> <JCHEM_LOGP>
3.253358637333333

> <ALOGPS_LOGS>
-3.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5545969375585726

> <JCHEM_POLAR_SURFACE_AREA>
26.28

> <JCHEM_REFRACTIVITY>
57.78640000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan

> <JCHEM_VEBER_RULE>
1

> <YMDB_ID>
YMDB01453

> <GENERIC_NAME>
bis-(2-methyl-3-furyl) disulfide

> <SYNONYMS>
3,3'-dithiobis[2-methylfuran]; bis-(2-Methylfuryl-3-) disulfide; bis-[(2-Methylfuryl-3)] disulfide; Bis(2-methyl-3-furyI)-disulfide; bis(2-methyl-3-furyl)disulphide; bis(2-methylfuryl) disulfide; disulfides; Furan, 3,3'-dithiobis[2-methyl-

$$$$