Mrv1572004161621552D          

 15 15  0  0  0  0            999 V2000
    1.1198    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157    1.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770   -3.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -2.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.9975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -2.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  4  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM000868

> <DATABASE_NAME>
chemdb

> <SMILES>
CN=C(O)O\N=C1\SC(C)(C)C(=O)N1C

> <INCHI_IDENTIFIER>
InChI=1S/C8H13N3O3S/c1-8(2)5(12)11(4)6(15-8)10-14-7(13)9-3/h1-4H3,(H,9,13)/b10-6+

> <INCHI_KEY>
NPYQHCFKDKPILU-UXBLZVDNSA-N

> <FORMULA>
C8H13N3O3S

> <MOLECULAR_WEIGHT>
231.27

> <EXACT_MASS>
231.067762465

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
23.042770529893716

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-methyl({[(2E)-3,5,5-trimethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}oxy)carboximidic acid

> <ALOGPS_LOGP>
1.09

> <JCHEM_LOGP>
1.8095493519999999

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.300689542742482

> <JCHEM_PKA_STRONGEST_BASIC>
0.9506428807726869

> <JCHEM_POLAR_SURFACE_AREA>
74.49000000000001

> <JCHEM_REFRACTIVITY>
56.711800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.98e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-methyl({[(2E)-3,5,5-trimethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}oxy)carboximidic acid

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1009

> <NAME>
Tazimcarb

> <CAS>
40085-57-2

> <SYNONYMS>
(EZ)-3,5,5-trimethyl-2-methylcarbamoyloxyimino-1,3-thiazolidin-4-one; (EZ)-N-methyl-1-(3,5,5-trimethyl-4-oxo-1,3-thiazolidin-2-ylideneaminooxy)formamide; 3,5,5-trimethyl-2,4-thiazolidinedione 2-[O-[(methylamino)carbonyl]oxime]

> <TYPES>
Organic Compound; Pesticide; Amine; Ether; Amide; Carbamate; Synthetic Compound

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