tert-butyldimethyl-λ4-sulfanamine hydrate

• ChemBase编号: 163491
• 分子式: C6H19NOS
• 平均质量: 153.28616
• 单一同位素质量: 153.11873523
• SMILES: C(S(N)(C)C)(C)(C)C.O
• Canonical SMILES: CS(C(C)(C)C)(N)C.O
• InChI: InChI=1S/C6H17NS.H2O/c1-6(2,3)8(4,5)7;/h7H2,1-5H3;1H2
• InChIKey: NSAOLTYLRDNBOQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyldimethyl-λ^4-sulfanamine hydrate
• IUPAC传统名: tert-butyldimethyl-λ^4-sulfanamine hydrate
• 别名: (R)-(+)-2-Methyl-2-propanesulfinamide; (R)-N-tert-Butanesulfinamide; (R)-tert-Butanesulfinamide; (R)-tert-Butylsulfinamide

登记号

• CAS号: 196929-78-9
• PubChem SID: 162257626
• PubChem CID: 46780955

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.5959339
• LogD (pH = 7.4): 0.87980515
• Log P: 1.0822
• 摩尔折射率: 42.1024 cm^3
• 极化性: 17.122808 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Off-White to Yellow Solid
• 熔点: 104-106°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - B693760

(R)-tert-Butylsulfinamide is a chiral ligand used in pharmaceutical compositions. (R)-tert-Butylsulfinamide can be readily transformed into P,N-sulfinyl imine ligands through condensation with aldehydes and ketones, which can undergo iridium-catalyzed asy

参考文献

• Szallasi, A., et al.: Pharmacol. Rev., 51, 159 (1999)
• Montell, C., et al.: Mol. Cell., 9, 229 (1999)
• Ryu, C., et al.: Bioorg. Med. Chem. Lett., 14, 1751 (1999)
• Suh, Y., et al.: J. Med. Chem., 48, 5823 (1999)