bis(methylsulfanyl)methane

• ChemBase编号: 125222
• 分子式: C3H8S2
• 平均质量: 108.22562
• 单一同位素质量: 108.00674226
• SMILES: CSCSC
• Canonical SMILES: CSCSC
• InChI: InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
• InChIKey: LOCDPORVFVOGCR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(methylsulfanyl)methane
• IUPAC传统名: 2,4-dithiapentane
• 别名: 二甲硫基甲烷; 双(甲硫基)甲烷; 双(甲硫代)甲烷; 双(甲硫基)甲烷; Bis(methylthio)methane; Bis(methylsulfanyl)methane; Bis(methylmercapto)methane; 2,4-Dithiapentane; Dimethylthiomethane; Formaldehyde dimethyl mercaptal; Bis(methylthio)methane; Bis(methylthio)methane

登记号

• CAS号: 1618-26-4
• EC号: 216-577-9
• MDL号: MFCD00008564
• Beilstein号: 1731143
• 默克索引号: 141256
• PubChem SID: 24901927; 162219572; 24871266; 24853560
• PubChem CID: 15380
• Chemspider ID: 14639
• FEMA编号: 3878
• 维基百科标题: 2,4-Dithiapentane
• Flavis Number: 12.118

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.8172132
• LogD (pH = 7.4): 1.8172132
• Log P: 1.8172132
• 摩尔折射率: 31.0075 cm^3
• 极化性: 12.384975 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Immiscible in water
• 外观: Liquid
• 熔点: -20.5°C
• 沸点: 146-147°C; 147 °C(lit.); 147°C
• 闪点: 111.2 °F; 43.89 °C; 43°C(109°F); 44 °C
• 密度: 1.059; 1.059 g/cm3, liquid; 1.059 g/mL at 25 °C(lit.)
• 折射率: 1.5340; n20/D 1.53; n20/D 1.53(lit.)
• 粘度: 0.00113 Pa s
• 感官: cheese; horseradish; earthy; alliaceous (onion, garlic); spicy

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 10-36/37/38; R10
• 安全公开号: 16-26-36/37/39; 26-37; S16
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• NFPA704:
  

  2

  1
• GHS危险声明: H226-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: ≥95.0% (GC); ≥99%; 95+%; 99%
• 级别: FG; Halal; Kosher; purum
• 线性分子式: CH3SCH2SCH3

详细说明

Sigma Aldrich - 226335

包装
25 g in glass bottle

Sigma Aldrich - W387800

Biochem/physiol Actions
0.1% PG 时的气味
0.10-0.30ppm 时的味道
General description
天然存在：松露乳酪、香菇和龙虾。
包装
1 sample in glass bottle
1, 2.5 kg in glass bottle
25, 100 g in glass bottle

Sigma Aldrich - 47653

Other Notes
用于许多转化反应的酰基阴离子等价物1,2,3,4

参考文献

• Lithiation produces a formyl anion equivalent, compare 1,3-Dithiane, A10505 and Bis(phenylthio)methane, L01723. Ring-opening of epoxides with the lithio-derivative is the basis of a one-pot route to cyclopropanes: Chem. Ber., 109, 669 (1976):