[(benzyldisulfanyl)methyl]benzene

• ChemBase编号: 106734
• 分子式: C14H14S2
• 平均质量: 246.39096
• 单一同位素质量: 246.05369245
• SMILES: C(SSCc1ccccc1)c1ccccc1
• Canonical SMILES: S(Cc1ccccc1)SCc1ccccc1
• InChI: InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: GVPWHKZIJBODOX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(benzyldisulfanyl)methyl]benzene
• IUPAC传统名: disulfide, bis(phenylmethyl)
• 别名: 二硫化苄; 二苄基二硫; 二苄基二硫; 二苄基二硫醚; BENZYL DISULFIDE; Benzyl disulfide; Dibenzyl disulfide; Benzyl disulfide; 1,4-Diphenyl-2,3-dithiabutane; BDS; Benzyl Bisulfide; Bis(phenylmethyl) Disulfide; Dailube S 700; Di(phenylmethyl)disulfide; Dibenzyl Disulphide; NSC 677465; NSC 6841; S 700; α-(Benzyldithio)toluene; Dibenzyl Disulphide; Dibenzyl disulfide

登记号

• CAS号: 150-60-7
• EC号: 205-764-0
• MDL号: MFCD00004783
• Beilstein号: 1110443
• 默克索引号: 143013
• PubChem SID: 162087222; 24901812; 24891634
• PubChem CID: 9012
• FEMA编号: 3617
• 欧洲委员会编号: 4077
• Flavis Number: 12.081

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.7475533
• LogD (pH = 7.4): 4.7475533
• Log P: 4.7475533
• 摩尔折射率: 76.3168 cm^3
• 极化性: 29.846294 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: White Solid
• 熔点: 67-72°C; 69-72 °C(lit.); 70-72°C
• 沸点: 210-216°C/18mm
• 闪点: 150°C(302°F)
• 密度: 1.300
• 感官: green; earthy; smoky

安全信息

• 保存条件: Refrigerator
• RTECS编号: JO1750000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 43
• 安全公开号: 22-36/37; 24-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H317
• GHS警示性声明: P261-P280-P302+P352-P321-P363-P501A; P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

药理学性质

• 过敏源: no known allergens

产品相关信息

• 纯度: 98%; 98+%
• 级别: Halal; Kosher
• 线性分子式: C6H5CH2SSCH2C6H5

详细说明

MP Biomedicals - 05201245

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W361704

包装
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

Sigma Aldrich - B21805

包装
100, 500 g in poly bottle

Toronto Research Chemicals - D417080

Originating from Petiveria alliacea L. This compound along with the other sulfur-containing compound found in this plant display antibacterial and antifungal activity.

参考文献

• Kim, S. et. al.: J. Ethnopharmacol. 104, 188 (2006)