N,N-dimethyl[(dimethylcarbamothioyl)disulfanyl]carbothioamide

• ChemBase ID: 104692
• Molecular Formular: C6H12N2S4
• Molecular Mass: 240.43288
• Monoisotopic Mass: 239.98833239
• SMILES: CN(C)C(=S)SSC(=S)N(C)C
• Canonical SMILES: CN(C(=S)SSC(=S)N(C)C)C
• InChI: InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
• InChIKey: KUAZQDVKQLNFPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl[(dimethylcarbamothioyl)disulfanyl]carbothioamide
• IUPAC Traditional name: tulisan
• Synonyms: Bis(dimethylthiocarbamoyl) disulfide; Bis(dimethylthiocarbamyl) disulfide; Tetramethylthiuram disulfide; Tetramethylthiuram disulfide; Thiram; TMTD; N,N,N',N'-Tetramethylthioperoxydicarbonic Diamide; Tetramethyl-thiuram-disulfide; bis[Dimethylthiocarbamyl] disulfide; Thiram; TETRAMETHYLTHIURAM DISULFIDE; Thiram; 二硫化双(硫羰基二甲胺); 促进剂 T; 福美双; 二硫化四甲基秋兰姆; 二硫化四甲基秋兰姆; 福美双

Database IDs

• CAS Number: 137-26-8
• EC Number: 205-286-2
• MDL Number: MFCD00008325
• Beilstein Number: 1725821
• Merck Index: 149371
• PubChem SID: 24869255; 24900038; 24889011; 24899172; 162091931
• PubChem CID: 5455
• KEGG ID: D06114
• Wikipedia Title: Thiram

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.732527
• LogD (pH = 7.4): 2.732527
• Log P: 2.732527
• Molar Refractivity: 69.2408 cm^3
• Polarizability: 27.157925 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 30 mg/L in water
• Apperance: White to yellow crystalline powder
• Melting Point: 146 °C; 147-152 °C; 152-155°C; 155 - 156°C; 156-158 °C(lit.)
• Boiling Point: 129 °C at 20 mmHg; 129°C/20mm
• Flash Point: 138°C (280.4°F); 150 °C; 302 °F; 89 °C (closed cup); 89°C(192°F)
• Auto Ignition Point: 316 °F; not self-flammable
• Density: 1.29 g/cm^3 at 20 °C; 1.300
• Vapor Pressure: Negligible at room temperature, <7.5 x 10-6 mm Hg at 25 °C.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: JO1400000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 2811; 3077; UN3077
• German water hazard class: 3
• Hazard Class: 6.1; 9
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 20/22-36/38-43-48/22-50/53; R:20/22-36/37-40-43
• Safety Statements: 26-36/37-60-61; S:36/37
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H332-H315-H317-H319-H373-H410; H302-H315-H317-H319-H332-H373-H410; H373-H400-H410-H302-H332-H315-H319-H317
• GHS Precautionary statements: P260-P261-P305+P351+P338-P302+P352-P321-P501A; P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (N); 97%
• Grade: analytical standard; PESTANAL®, analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: (CH3)2NCSS2CSN(CH3)2

DETAILS

MP Biomedicals - 02156829

Crystalline
Purity: 97%

Sigma Aldrich - T24201

Packaging
5, 100 g in glass bottle

Sigma Aldrich - 45689

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - T395500

Thiram is an ectoparasiticide. Thiram is used in agriculture to prevent fungal diseases in seed and crops. Thiram has other applications ranging from use as a topical bactericide to animal repellent.

REFERENCES

• Sahni, M.L. et al.: Ind. Phytopathol., 20, 71 (1967)
• Vir, D.: Pesticide, 11, 39 (1967)
• Welch, J.F. et al.: Plant. Dis. Rep., 35, 57 (1967)