1068
  Mrv1652303202019012D          

  3  2  0  0  0  0            999 V2000
    2.3642   -0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01674

> <DATABASE_NAME>
YMDB

> <SMILES>
CSC

> <INCHI_IDENTIFIER>
InChI=1S/C2H6S/c1-3-2/h1-2H3

> <INCHI_KEY>
QMMFVYPAHWMCMS-UHFFFAOYSA-N

> <FORMULA>
C2H6S

> <MOLECULAR_WEIGHT>
62.134

> <EXACT_MASS>
62.019020882

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
7.236348155286841

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(methylsulfanyl)methane

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
1.2235795016666668

> <ALOGPS_LOGS>
-0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.8917

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyl sulfide

> <JCHEM_VEBER_RULE>
1

> <YMDB_ID>
YMDB01674

> <GENERIC_NAME>
Dimethyl sulfide

> <SYNONYMS>
(Methylsulfanyl)methane; [SMe2]; 2-Thiapropane; 2-Thiopropane; Dimethyl monosulfide; Dimethyl sulfide; Dimethyl sulfide (natural); Dimethyl sulfoxide(reduced); Dimethyl thioether; Dimethylsulfid; Dimethylsulphide; DMS; Methanethiomethane; Methyl monosulfide; Methyl sulfide; Methyl sulphide; Methyl thioether; Methylthiomethane; Methylthiomethyl radical; MSM; Reduced-dmso; Thiobis-methane; Thiopropane

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