Mrv0541 05061306082D          

  7  6  0  0  0  0            999 V2000
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D3878

> <DATABASE_NAME>
t3db

> <SMILES>
COP(N)(=O)SC

> <INCHI_IDENTIFIER>
InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)

> <INCHI_KEY>
NNKVPIKMPCQWCG-UHFFFAOYSA-N

> <FORMULA>
C2H8NO2PS

> <MOLECULAR_WEIGHT>
141.129

> <EXACT_MASS>
141.001335707

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
12.074182257591037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[methoxy(methylsulfanyl)phosphoryl]amine

> <ALOGPS_LOGP>
-0.94

> <JCHEM_LOGP>
-0.31829000733333335

> <ALOGPS_LOGS>
-0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.56858822605738

> <JCHEM_POLAR_SURFACE_AREA>
52.32000000000001

> <JCHEM_REFRACTIVITY>
31.678600000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tamaron

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D3878

> <NAME>
(±)-Methamidophos

> <CAS>
115182-35-9

> <SYNONYMS>
(±)-methamidophos; Acephate-met; Amidor; Chevron 9006; Chevron ortho 9006; Filitox; Hamidop; Metamidofos estrella; Metamidophos; Methamidophos; Methyl phosphoramidothioate; Methyl phosphoramidothioate ((MeO)(MeS)P(O)(NH2)); Monitor; Monitor (insecticide); MTD; O,S-Dimethyl amidothiophosphate; O,S-Dimethyl phosphoramidothioate; O,S-Dimethyl phosphoramidothiolate; O,S-Dimethyl phosphoroamidothioate; O,S-Dimethylphosphoroamidothioate; Ortho monitor; Patrole; Phosphoramidothioic acid, O,S-dimethyl ester; Pillaron; Sniper; Tahmabon; Tamanox; Tamaron

> <TYPES>
Organic Compound; Pesticide; Organophosphate; Amide; Insecticide; Food Toxin; Metabolite; Synthetic Compound

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