Mrv0541 02241221172D          

  4  4  0  0  0  0            999 V2000
   -0.1743    0.1743    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507    0.1743    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
  2  4  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025305

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1CS1

> <INCHI_IDENTIFIER>
InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3

> <INCHI_KEY>
MBNVSWHUJDDZRH-UHFFFAOYSA-N

> <FORMULA>
C3H6S

> <MOLECULAR_WEIGHT>
74.145

> <EXACT_MASS>
74.019020882

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.255879095457857

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methylthiirane

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
0.9234345

> <ALOGPS_LOGS>
-0.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
21.720100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiirane, methyl-

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,2-Epithiopropane

$$$$