Mrv0541 09211104272D          

 33 32  0  0  0  0            999 V2000
    0.9941   -0.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8056   -0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -0.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515   -0.2076    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030   -1.0191    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715    1.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200    1.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630   -0.3561    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4974    0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3089    0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8433    0.7525    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6548    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1892    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1426    0.2724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -0.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456   -1.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6855   -1.5038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151   -1.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1155    0.5288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553    1.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    1.8013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    2.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085    2.0983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8879    0.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175    1.0886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1888   -0.6923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9184   -0.4321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5347   -0.2123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    0.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8178    0.6981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7236    1.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5606    1.7669    0.0000 H   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0038

> <SMILES>
CCOP(=S)(OCC)SCCSCC

> <INCHI_IDENTIFIER>
InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

> <INCHI_KEY>
InChIKey=DOFZAZXDOSGAJZ-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
29.472036803769093

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
274.028478434

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C8H19O2PS3

> <JCHEM_IUPAC>
diethyl {[2-(ethylsulfanyl)ethyl]sulfanyl}(sulfanylidene)phosphonite

> <JCHEM_LOGP>
3.0289055800000004

> <JCHEM_MASS>
274.404

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
74.1199

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_TRADITIONAL_IUPAC>
diethyl [2-(ethylsulfanyl)ethyl]sulfanyl(sulfanylidene)phosphonite

$$$$