Mrv1652306031609212D          

 16 15  0  0  0  0            999 V2000
   -0.5230    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.8743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.4454    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    0.4125    0.0000 Si  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 11 10  3  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011940

> <DATABASE_NAME>
chemdb

> <SMILES>
CCO[Si](CCCSC#N)(OCC)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3

> <INCHI_KEY>
HKMVWLQFAYGKSI-UHFFFAOYSA-N

> <FORMULA>
C10H21NO3SSi

> <MOLECULAR_WEIGHT>
263.43

> <EXACT_MASS>
263.101141249

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
28.408148454563747

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[3-(cyanosulfanyl)propyl]triethoxysilane

> <ALOGPS_LOGP>
3.65

> <JCHEM_LOGP>
2.1433

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7803895792052553

> <JCHEM_POLAR_SURFACE_AREA>
51.480000000000004

> <JCHEM_REFRACTIVITY>
63.779399999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3-(cyanosulfanyl)propyl]triethoxysilane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Thiocyanic acid, 3-(triethoxysilyl)propyl ester

> <CAS>
34708-08-2

> <SYNONYMS>
triethoxy(3-thiocyanatopropyl)silane

$$$$