sodium methylsulfanide

• ChemBase编号: 85762
• 分子式: CH3NaS
• 平均质量: 70.08929
• 单一同位素质量: 69.98531538
• SMILES: [S-]C.[Na+]
• Canonical SMILES: [S-]C.[Na+]
• InChI: InChI=1S/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1
• InChIKey: RMBAVIFYHOYIFM-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium methylsulfanide
• IUPAC传统名: sodium methanethiolate
• 别名: 甲基硫醇钠; 甲烷硫醇 钠盐; 甲硫醇钠; 甲硫醇钠; Sodium methanethiolate; Sodium thiomethoxide; Sodium methanethiolate; sodium methyl mercaptide; sodium thiomethylate; methanethiol sodium sale; methyl mercaptan sodium salt; Methylthiosodium; Sodium Methanesulfenate; Sodium Methanethiolate (~20% in Water); SodiuMMethanethiolate; Sodium thiomethoxide; Methanethiol sodium salt; Sodium methanethiolate

登记号

• CAS号: 5188-07-8
• EC号: 225-969-9
• MDL号: MFCD00174316
• Beilstein号: 3592983
• PubChem SID: 24856962; 24886293; 162072878
• PubChem CID: 4378561
• Chemspider ID: 71198
• 维基百科标题: Sodium_methanethiolate

理论计算性质

• Acid pKa: 10.336813
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.8365644
• LogD (pH = 7.4): 0.8361044
• Log P: 0.83657026
• 摩尔折射率: 14.9829 cm^3
• 极化性: 5.8336926 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: soluble in water
• 外观: Clear Colorless Liquid; yellow-red
• 闪点: 27°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Corrosive/Highly Flammable/Stench/Light Sensitive/Moisture Sensitive/Air Sensitive/Store under Argon/Keep Cold
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 3263
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 11-31-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H228-H314
• GHS警示性声明: P210-P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 3
• 欧盟补充危害声明: Contact with acids liberates toxic gas.

产品相关信息

• 纯度: ≥90% (RT); 95%; 98%
• 级别: technical
• 成盐信息: Na+
• 线性分子式: CH3SNa

详细说明

Sigma Aldrich - 71742

Other Notes
用于由卤-芳烃合成甲基芳硫醚的强亲核试剂1,2；烷基硫醇盐是用于酯和芳醚 SN2 脱烷基化的有效试剂3,4
包装
5, 25 g in glass bottle

Sigma Aldrich - 281018

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
用于通过甲磺酸取代反应制备 16-脱氢皮质醇羧酸甲酯的 C-21 硫醚。1
包装
1, 5, 25 g in glass bottle

Toronto Research Chemicals - S644800

Strong nucleophile used for the synthesis of methyl aryl sulfides from halo-arenes. Alkanethiolates are efficient reagents for SN2 dealkylation of esters and aryl ethers.

参考文献

• Le Brazidec, J., et al.: J. Med. Chem., 47, 3865 (2004)
• Grem, J., et al.: J. Clin. Oncol., 23, 1885 (2004)
• Levason, W., et al.: Dalton Trans, 439 (2004)