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テトラメチルチウラムモノスルフィド
テトラメチルチウラムモノスルフィド · 2,6-ジメチル-4-チア-2,6-ジアザヘプタン-3,5-ジチオン · モノチウラム · アセトTMTM · 1,1'-チオビス(N,N-ジメチルチオホルムアミド) · N,N,N',N'-テトラメチルチウラムスルフィド · ビス(ジメチルチオカルバモイル)スルフィド · ビス(N,N-ジメチルチオカルバモイル)スルフィド
識別子と物理属性
| CAS No. | 97-74-5 |
|---|---|
| 分子式 | C6H12N2S3 |
| 平均分子量 | 208.4 g/mol |
| 単同位体質量 | 208.01626138 g/mol |
| SMILES | CN(C)C(=S)SC(=S)N(C)C |
| InChIKey | REQPQFUJGGOFQL-UHFFFAOYSA-N |
| PubChem CID | 7347 |
| ChEMBL | CHEMBL571700 |
| EC No. | 202-605-7 |
| DTXSID | DTXSID0021333 |
| 現地名 | テトラメチルチウラムモノスルフィド |
化学・物理的性質
| XLogP | 1.7 |
|---|---|
| 極性表面積 | 96 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 147 |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| Polymers | Plastics & Rubber -> Rubber Additives |
| SpringerMaterials Properties | Crystal structure |
| 臭い | Odorless無臭 |
| 密度 | 1.37 @ 20 °C |
| Color/Form | Yellow powder |
| 溶解度 | Soluble in aromatic solventsクロロホルム、メタノール（微量）不溶性 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 融点 | 109.5 °C107-111 °C (lit.) |
| 蒸気圧 | 0.00027 [mmHg]0.002Pa at 25℃ |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderLarge CrystalsOther SolidYellow solid[Hawley] Yellow powder[MSDSonline] |
| 沸点 | 260.9±23.0 °C(Predicted) |
| 屈折率 | 1.4825 (estimate) |
| 引火点 | 156 °C |
| 貯蔵条件 | Amber Vial, Refrigerator |
| pKa（酸解離定数） | 0.93±0.50(Predicted) |
| 外観・状態 | 粉 |
| 色 | 黄色 |
| BRN | 1775650 |
| ヘンリー定数 | 5.8×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3 |
| InChIKey | REQPQFUJGGOFQL-UHFFFAOYSA-N |
| SMILES | CN(C)C(=S)SC(=S)N(C)C |
| LogP（分配係数） | 1.17 at 20℃ |
| CAS データベース | 97-74-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Tetramethylthiuram monosulfide(97-74-5) |
| EPAの化学物質情報 | Bis(dimethylthiocarbamoyl) sulfide (97-74-5) |
化学的特性
Yellow powder. Soluble in acetone, benzene, and ethylene dichloride; insoluble in water and gasoline. Combustible.
安全性と法規制
| GHS 分類 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302+H332 (16.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: Thiodicarbonic diamide ([(H2N)C(S)]2S), tetramethyl-Thiodicarbonic diamide ([(H2N)C(S)]2S), N,N,N',N'-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiodicarbonic diamide ([(H2N)C(S)]2S), N,N,N',N'-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Tetramethylthiuram monosulphide (EC: 202-605-7)Tetramethylthiuram monosulfide: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Methyl and ethyl thiuram monosulfides: Human health tier II assessment |
| 有害性の概要 | A skin sensitizer, based on human patch test studies[HSDB] May cause skin sensitization[eChemPortal: ERMA] May cause irritation[MSDSonline] See Thiuram mix. |
| RCRA 要件 | U401As stipulated in 40 CFR 261.33, when bis(dimethylthiocarbamoyl) sulfide, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5). |
| EPA Hazardous Waste Number | U401A toxic waste when a discarded commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate. |
用途
用途
天然ゴム、合成ゴム用加硫促進剤、殺菌剤、チアゾ-ル類の活性剤、クロロプレンゴムの早期加硫防止剤
説明
Tetramethylthiuram mono sulfide is a rubber accelerator, contained in the "thiuram mix". The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.
使用
Ultraaccelerator for rubber, fungicide, insecticide.