Mrv0541 05061305342D          

  6  5  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM024903

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Se]S\C=C\C

> <INCHI_IDENTIFIER>
InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3-4H,1-2H3/b4-3+

> <INCHI_KEY>
PKWUFFFGGWGNIG-ONEGZZNKSA-N

> <FORMULA>
C4H8SSe

> <MOLECULAR_WEIGHT>
167.13

> <EXACT_MASS>
167.951192774

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.696414565867672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E)-1-[(methylselanyl)sulfanyl]prop-1-ene

> <ALOGPS_LOGP>
1.75

> <JCHEM_LOGP>
1.6702000000000004

> <ALOGPS_LOGS>
-1.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
41.8443

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-1-[(methylselanyl)sulfanyl]prop-1-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methyl 1-propene-1-sulfenoselenoate

$$$$