Mrv0541 02241218492D          

  9  9  0  0  0  0            999 V2000
   -1.2082    0.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082   -0.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253   -1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6249   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -0.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1253    1.5418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0415    0.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM031788

> <DATABASE_NAME>
chemdb

> <SMILES>
C=CCC1CNC(=S)O1

> <INCHI_IDENTIFIER>
InChI=1S/C6H9NOS/c1-2-3-5-4-7-6(9)8-5/h2,5H,1,3-4H2,(H,7,9)

> <INCHI_KEY>
QEKDLBSHZCJKRO-UHFFFAOYSA-N

> <FORMULA>
C6H9NOS

> <MOLECULAR_WEIGHT>
143.207

> <EXACT_MASS>
143.040484605

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.118930332911257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
1.6107016129999998

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.723231165303133

> <JCHEM_POLAR_SURFACE_AREA>
21.259999999999998

> <JCHEM_REFRACTIVITY>
40.596

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione

> <JCHEM_VEBER_RULE>
1

> <NAME>
(-)-5-(2-Propenyl)-2-oxazolidinethione

> <CAS>
15216-29-2

$$$$