Mrv0541 02241221342D          

  3  2  0  0  0  0            999 V2000
    1.2376   -0.7146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9521   -1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.7146    0.0000 C   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
M  END
> <DATABASE_ID>
FDB009365

> <DATABASE_NAME>
foodb

> <SMILES>
CCS

> <INCHI_IDENTIFIER>
InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3

> <INCHI_KEY>
DNJIEGIFACGWOD-UHFFFAOYSA-N

> <FORMULA>
C2H6S

> <MOLECULAR_WEIGHT>
62.134

> <EXACT_MASS>
62.019020882

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.2530310229472

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethanethiol

> <ALOGPS_LOGP>
1.14

> <JCHEM_LOGP>
1.089600282

> <ALOGPS_LOGS>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.229032645424418

> <JCHEM_PKA_STRONGEST_BASIC>
-9.549918995117391

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
19.0385

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethanethiol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB009365

> <GENERIC_NAME>
Ethanethiol

$$$$