Mrv0541 05061305342D          

  6  5  0  0  0  0            999 V2000
   -0.1914   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  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>
CHEM024900

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Se]SCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H8SSe/c1-3-4-5-6-2/h3H,1,4H2,2H3

> <INCHI_KEY>
XRZIJESAGNNCGP-UHFFFAOYSA-N

> <FORMULA>
C4H8SSe

> <MOLECULAR_WEIGHT>
167.13

> <EXACT_MASS>
167.951192774

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.847593901263433

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
1.14

> <JCHEM_LOGP>
1.5193999999999999

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
41.6035

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.60e+00 g/l

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

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methyl (2-propenylthio) selenide

> <CAS>
158634-80-1

$$$$