Mrv1572004191601142D          

 16 15  0  0  0  0            999 V2000
    3.6829   -8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -7.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -5.3329    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -6.1579    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -4.9204    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -4.9204    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004208

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCSP(SCCCC)SCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

> <INCHI_KEY>
KLAPGAOQRZTCBI-UHFFFAOYSA-N

> <FORMULA>
C12H27PS3

> <MOLECULAR_WEIGHT>
298.5

> <EXACT_MASS>
298.101251389

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
35.10629662330838

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tris(butylsulfanyl)phosphane

> <ALOGPS_LOGP>
6.49

> <JCHEM_LOGP>
5.769200000000001

> <ALOGPS_LOGS>
-5.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.32774846841708516

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
89.0942

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.70e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
merphos

> <JCHEM_VEBER_RULE>
0

> <NAME>
Merphos

> <CAS>
150-50-5

> <SYNONYMS>
tris(butylsulfanyl)phosphane

$$$$