Mrv1572004251604382D          

 17 17  0  0  0  0            999 V2000
   -2.6776    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200    1.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210    3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2452    4.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9199    5.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841    3.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484    2.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005    3.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8948    3.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803    2.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    3.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    3.0278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803    1.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    4.0198    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679    4.4003    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  2  0  0  0  0
 16 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 17  5  1  0  0  0  0
 17  6  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008185

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=C(C)C(C(=O)NCC=C)=C(S1)[Si](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15)

> <INCHI_KEY>
MXMXHPPIGKYTAR-UHFFFAOYSA-N

> <FORMULA>
C13H21NOSSi

> <MOLECULAR_WEIGHT>
267.46

> <EXACT_MASS>
267.111312009

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
29.461911044287007

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
3.950900000000001

> <ALOGPS_LOGS>
-4.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.21050068186079

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8193445021144475

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
71.62259999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.76e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Silthiopham

> <CAS>
175217-20-6

> <SYNONYMS>
Silthiofam

$$$$