(potassiosulfanyl)[(1R,7R)-tricyclo[5.2.1.02,6]decan-8-yloxy]methanethione

• ChemBase编号: 134078
• 分子式: C11H15KOS2
• 平均质量: 266.4645
• 单一同位素质量: 266.02013878
• SMILES: C1CC2[C@H]3C[C@@H](C2C1)C(C3)OC(=S)S[K]
• Canonical SMILES: [K]SC(=S)OC1C[C@@H]2C[C@H]1C1C2CCC1
• InChI: InChI=1S/C11H16OS2.K/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5H2,(H,13,14);/q;+1/p-1/t6-,7?,8?,9-,10?;/m1./s1
• InChIKey: IGULCCCBGBDZKQ-HJPGVBIPSA-M

名称和登记号

名称

• IUPAC标准名: (potassiosulfanyl)[(1R,7R)-tricyclo[5.2.1.0^2,^6]decan-8-yloxy]methanethione
• IUPAC传统名: (potassiosulfanyl)[(1R,7R)-tricyclo[5.2.1.0^2,^6]decan-8-yloxy]methanethione
• 别名: D609; O-Tricyclo[5.2.1.02,6]dec-9-yl dithiocarbonate potassium salt

登记号

• CAS号: 83373-60-8
• EC号: 280-379-9
• MDL号: MFCD00171401
• PubChem SID: 162228355; 24278031
• PubChem CID: 23669918

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.1175
• LogD (pH = 7.4): 2.1175
• Log P: 2.1175
• 摩尔折射率: 63.3011 cm^3
• 极化性: 28.196167 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL
• 外观: off-white to yellow solid

安全信息

• 德国WGK号: 3
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥95%

详细说明

Sigma Aldrich - T8543

Biochem/physiol Actions
Phosphatidylcholine-specific phospholipase C (PLC) and HIV-1 inhibitor. Xanthogenate derivative with in vitro anti-tumor activity.
Caution
The product is readily soluble in water. However it is very labile in solution (1.5 days half-life in tissue culture medium) and is readily hydrolyzed below pH 6.0. Prepare solutions immediately before use. Discard the unused solution. For tissue culture preparations, the media should be buffered to pH 6.0-7.5. HEPES buffer must not be used as it renders this product toxic.
General description
For tissue culture preparations, the media should be buffered at pH 6.0 to 7.4. HEPES buffer must not be used as it renders this product toxic.