Mrv0541 04251301002D          

  9  9  0  0  0  0            999 V2000
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D3822

> <DATABASE_NAME>
t3db

> <SMILES>
CN1CSC(=S)N(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

> <INCHI_KEY>
QAYICIQNSGETAS-UHFFFAOYSA-N

> <FORMULA>
C5H10N2S2

> <MOLECULAR_WEIGHT>
162.276

> <EXACT_MASS>
162.02853971

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.072688446705758

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-dimethyl-1,3,5-thiadiazinane-2-thione

> <ALOGPS_LOGP>
0.48

> <JCHEM_LOGP>
1.2834316753333332

> <ALOGPS_LOGS>
-1.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.060433469136976

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
46.172999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiazon

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D3822

> <NAME>
Dazomet

> <CAS>
533-74-4

> <SYNONYMS>
2-Thio-3,5-dimethyltetrahydro-1,3,5-thiadiazine; 3,5-Dimethyl-1,3,5-(2H)-tetrahydrothiadiazine-2-thione; 3,5-Dimethyl-2-thionotetrahydro-1,3,5-thiadiazine; 3,5-Dimethyltetrahydro-1,3,5-2H-thiadiazine-2-thione; 3,5-Dimethyltetrahydro-1,3,5-thiadiazine-2-thione; 3,5-Dimethyltetrahydro-2H-1,3,5-thiadiazine-2-thione; Basamid; Crag 974; Dazoberg; Dimethylformocarbothialdine; DMTT; Mylone; NSC 4737; Tetrahydro-2H-3,5-dimethyl-1,3,5-thiadiazine-2-thione; Tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thione; Tiazon; UCC 974

> <TYPES>
Organic Compound; Pesticide; Amine; Ether; Ester; Carbamate; Lachrymator; Synthetic Compound; Fungicide

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