10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene-3,3-dione

• ChemBase编号: 163566
• 分子式: C10H15NO2S
• 平均质量: 213.2966
• 单一同位素质量: 213.08234973
• SMILES: C12=NS(=O)(=O)CC31CCC(C2)C3(C)C
• Canonical SMILES: O=S1(=O)N=C2C3(C1)CCC(C2)C3(C)C
• InChI: InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3
• InChIKey: ZAHOEBNYVSWBBW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10,10-dimethyl-3λ^6-thia-4-azatricyclo[5.2.1.0^1,^5]dec-4-ene-3,3-dione
• IUPAC传统名: 10,10-dimethyl-3λ^6-thia-4-azatricyclo[5.2.1.0^1,^5]dec-4-ene-3,3-dione
• 别名: (1S)-(-)-樟脑内磺酰亚胺; (3aR,6S)-4,5,6,7-Tetrahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole 2,2-Dioxide; (1R)-(+)-(10-Camphorsulfonyl)imine; (3aS,6R)-4,5,6,7-Tetrahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole 2,2-Dioxide; (1S)-(-)-(10-Camphorsulfonyl)imine; (1S)-(-)-Camphorsulfonylimine

登记号

• CAS号: 60886-80-8; 107869-45-4
• MDL号: MFCD00064576
• Beilstein号: 85296
• PubChem SID: 162257701
• PubChem CID: 362687

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.98712236
• LogD (pH = 7.4): 0.98718524
• Log P: 0.987186
• 摩尔折射率: 53.1532 cm^3
• 极化性: 21.891245 Å^3
• 极化表面积: 46.5 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: Acetone; Dichloromethane; Hot Methanol
• 外观: White Cyrstalline Solid
• 熔点: 226-228°C; 233-235°C; 236-238°C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98+%

详细说明

Toronto Research Chemicals - C175080

A useful synthetic intermediate. Used for asymmetric hydroxylation.

Toronto Research Chemicals - C175085

A useful synthetic intermediate. Used for asymmetric hydroxylation.