Standard Compound Records

Database Entry: cq_07818

2D-Structure

3D-Structure

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Basic Information

Name:Tetramethylthioperoxydicarbonic diamide;Thiram
Synonyms:Tetramethylthioperoxydicarbonic diamide;Thiram;12680-07-8;12680-62-5;137-26-8;39456-80-9;4-04-00-00242 (Beilstein Handbook Reference);56645-31-9;66173-72-6;93196-73-7;AI3-00987;Aapirol;Aatiram;Accel TMT;Accelerator T;Accelerator thiuram;Aceto TETD;Anles;Arasan;Arasan 42-S;Arasan 70;Arasan 70-S Red;Arasan 75;Arasan-M;Arasan-SF;Arasan-SF-X;Atiram;Attack;Aules;BRN 1725821;Bis((dimethylamino)carbonothioyl) disulfide;Bis((dimethylamino)carbonothioyl) disulphide;Bis(dimethyl thiocarbamoyl)disulfide;Bis(dimethyl-thiocarbamoyl)-disulfid [German];Bis(dimethylthiocarbamoyl) disulfide;Bis(dimethylthiocarbamoyl) disulphide;Bis(dimethylthiocarbamyl) disulfide;CCRIS 1282;Caswell No. 856;Chipco thiram 75;Cunitex;Cyuram DS;Delsan;Disolfuro di tetrametiltiourame [Italian];Disulfide, bis(dimethylthiocarbamoyl);Disulfure de tetramethylthiourame [French];Disulfuro di tetrametiltiourame [Italian];EINECS 205-286-2;ENT 987;EPA Pesticide Chemical Code 079801;Ekagom TB;FMC 2070;Falitiram;Fermide;Fermide 850;Fernacol;Fernasan;Fernasan A;Fernide;Flo Pro T Seed Protectant;Formalsol;Formamide, 1,1'-dithiobis(N,N-dimethylthio-;HSDB 863;Hermal;Hermat TMT;Heryl;Hexathir;Hy-Vic;Kregasan;Mercuram;Methyl thiram;Methyl thiuramdisulfide;Methyl tuads;Methylthiuram disulfide;Metiur;Metiurac;Micropearls;N,N'-(Dithiodicarbonothioyl)bis(N-methylmethanamine);N,N,N',N'-Tetramethylthiuram disulfide;N,N-Tetramethylthiuram disulfide;N,N-Tetramethylthiuram disulphide;NSC 1771;Nobecutan;Nocceler TT;Normersan;Orac TMTD;Panoram 75;Pol-Thiuram;Polyram ultra;Pomarsol;Pomarsol forte;Pomasol;Puralin;RCRA waste no. U244;RCRA waste number U244;Radothiram;Rezifilm;Royal TMTD;SQ 1489;Sadoplon;Sadoplon 75;Spotrete;Spotrete-F;Sranan-sf-X;THIRAM;TMTDS;Teramethylthiuram disulfide;Tersan;Tersan 75;Tersantetramethyldiurane sulfide;Tetramethyl thiuramdisulfide;Tetramethyl thiurane disulfide;Tetramethyl thiurane disulphide;Tetramethyl-thiram disulfid [German];Tetramethyldiurane sulphite;Tetramethylenethiuram disulfide;Tetramethylenethiuram disulphide;Tetramethylthiocarbamoyldisulphide;Tetramethylthioramdisulfide [Dutch];Tetramethylthiuram;Tetramethylthiuram bisulfide;Tetramethylthiuram bisulphide;Tetramethylthiuram disulfide;Tetramethylthiuram disulphide;Tetramethylthiuran disulphide;Tetramethylthiurane disulfide;Tetramethylthiurum disulfide;Tetramethylthiurum disulphide;Tetrapom;Tetrasipton;Tetrathiuram disulfide;Tetrathiuram disulphide;Thianosan;Thillate;Thimar;Thimer;Thioknock;Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetramethyl-;Thioperoxydicarbonic diamide ((H2N)C(S))2S2, tetramethyl-;Thioperoxydicarbonic diamide, tetramethyl-;Thiosan;Thioscabin;Thiotox;Thiotox (fungicide);Thiram 75;Thiram 80;Thiram B;Thiram [BSI:ISO];Thiram [USAN:INN];Thiramad;Thirame;Thirame [INN-French];Thirampa;Thiramum [INN-Latin];Thirasan;Thiulin;Thiulix;alpha,alpha'-Dithiobis(dimethylthio)formamide;1-(dimethylthiocarbamoyldisulfanyl)-N,N-dimethyl-thioformamide;1-(dimethylthiocarbamoyldisulfanyl)-N,N-dimethyl-methanethioamide;1-(dimethylamino-thioxo-methyl)disulfanyl-N,N-dimethyl-thioformamide
Molecular Weight:240.43288
Formula:C6H12N2S4
CAS:12680-07-8;12680-62-5;137-26-8;39456-80-9;56645-31-9;66173-72-6;93196-73-7
Isomeric SMILES:CN(C)C(=S)SSC(=S)N(C)C
Canonical SMILES:CN(C)C(=S)SSC(=S)N(C)C
InChI:InChI=1/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
Experimental Water Solubility:30 mg/L [YALKOWSKY,SH & HE,Y (2003)]
Predicted Water Solubility:0.04 mg/ml [Predicted by ALOGPS]
Experimental LogP(octanol-water):1.73 [TOMLIN,C (2003)]
Predicted LogP(octanol-water):2.18 [Predicted by ALOGPS]

Biology and Chemistry related

KEGG Compound ID:C11160
PubChem SID:151876
PubChem CID:5455
ChemIDplus:000137268
CHEBI:
HMDB:
PDB Component ID:
MetaCyc ID:
UM-BBD ID:
BMRB ID:

NMR related

Atom IDAtom TypeSMILES Canonical IDSMILES Symmetry ClassNeighborsInChI Canonical IDInChI Symmetry ClassEmpirical Chemical ShiftTheoretical Chemical ShiftExperimental Chemical ShiftLiterature NMR Data
1C420516,14,1865198.5N_AN_AN_A
2C419515,13,1755198.5N_AN_AN_A
3S15319,161111N_AN_AN_AN_A
4S16320,151211N_AN_AN_AN_A
5S14220109N_AN_AN_AN_A
6S1321999N_AN_AN_AN_A
7N17419,21,2277N_AN_AN_AN_A
8N18420,23,2487N_AN_AN_AN_A
9C121617,1,2,31140.7N_AN_AN_A
10C123618,7,8,93140.7N_AN_AN_A
11C122617,4,5,62140.7N_AN_AN_A
12C124618,10,11,124140.7N_AN_AN_A
13H1121N_AN_A2.47N_AN_AN_A
14H2121N_AN_A2.47N_AN_AN_A
15H3121N_AN_A2.47N_AN_AN_A
16H7123N_AN_A2.47N_AN_AN_A
17H8123N_AN_A2.47N_AN_AN_A
18H9123N_AN_A2.47N_AN_AN_A
19H4122N_AN_A2.47N_AN_AN_A
20H5122N_AN_A2.47N_AN_AN_A
21H6122N_AN_A2.47N_AN_AN_A
22H10124N_AN_A2.47N_AN_AN_A
23H11124N_AN_A2.47N_AN_AN_A
24H12124N_AN_A2.47N_AN_AN_A

Mass Spectra related

C12N14 Mass data:239.988331156
C13N14 Mass data:246.008460182
C12N15 Mass data:241.982400942
C13N15 Mass data:248.002529969

Miscellanea

Order_Status:DONE
Organism:
Location:
Isomer:
Salt:
Data Source:kegg
Similar Structure:
Comments: drug