Mrv0541 08291403462D          

 12 11  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D4542

> <DATABASE_NAME>
t3db

> <SMILES>
CN(C)C(=S)SSC(=S)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3

> <INCHI_KEY>
KUAZQDVKQLNFPE-UHFFFAOYSA-N

> <FORMULA>
C6H12N2S4

> <MOLECULAR_WEIGHT>
240.433

> <EXACT_MASS>
239.988331154

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
23.95558650588943

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-dimethyl[(dimethylcarbamothioyl)disulfanyl]carbothioamide

> <ALOGPS_LOGP>
2.18

> <JCHEM_LOGP>
2.732527103333333

> <ALOGPS_LOGS>
-3.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
69.2408

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tulisan

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4542

> <NAME>
Thiram

> <CAS>
137-26-8

> <SYNONYMS>
Arasan; Bis((dimethylamino)carbonothioyl) disulfide; Bis(dimethyl thiocarbamoyl)disulfide; Bis(dimethyl-thiocarbamoyl)-disulfid; Bis(dimethylthiocarbamoyl) disulfide; Disulfure de tetramethylthiourame; N,N'-(dithiodicarbonothioyl)bis(N-methylmethanamine); N,N-Tetramethylthiuram disulfide; Nomersan; Pomarsol; Rezifilm; Tetramethyl-thiram disulfid; Tetramethylenethiuram disulfide; Tetramethylthioperoxydicarbonic diamide; Tetramethylthiuram disulfide; Tetramethylthiurane disulfide; Tetrathiuram disulfide; Thirame; Thiramum; Thiuram; TMTD; [Me2NC(S)S]2, alpha,Alpha'-dithiobis(dimethylthio)formamide

> <TYPES>
Organic Compound; Pesticide; Amine; Cosmetic Toxin; Household Toxin; Synthetic Compound; Fungicide

$$$$