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| CAS No.: | 83373-60-8 |
|---|---|
| Name: | D609 |
| Molecular Structure: | |
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| Formula: | C11H16KOS2 |
| Molecular Weight: | 267.47 |
| Synonyms: | Carbonodithioicacid, O-(octahydro-4,7-methano-1H-inden-5-yl) ester, potassium salt (9CI);D 609;O-Tricyclo[5.2.1.02,6]dec-9-yl dithiocarbonate potassium salt;Potassium O-(octahydro-4,7-methano-1H-inden-5-yl) dithiocarbonate; |
| EINECS: | 280-379-9 |
| Boiling Point: | 303.8 °C at 760 mmHg |
| Flash Point: | 137.5 °C |
| Risk Codes: | 22 |
| Safety: | 24/25 |
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- Total:19 Page 1 of 1 1
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Specification
The Tricyclo-decan-9-yl-xanthate, with the CAS registry number 83373-60-8, is also known as Carbonodithioic acid,O-(octahydro-4,7-methano-1H-inden-5-yl) ester, potassium salt (1:1). Its EINECS number is 280-379-9. This chemical's molecular formula is C11H16KOS2 and molecular weight is 267.47. What's more, its systematic name is Potassium O-(octahydro-4,7-methano-1H-inden-5-yl) dithiocarbonate. Its classification codes are: (1)Anti-Infective Agents; (2)Antineoplastic agents; (3)Antioxidants; (4)Antiviral agents; (5)Enzyme Inhibitors; (6)Phosphodiesterase inhibitors; (7)Protective Agents.
Physical properties of Tricyclo-decan-9-yl-xanthate are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 3.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.98; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.62 Å2; (13)Flash Point: 137.5 °C; (14)Enthalpy of Vaporization: 52.24 kJ/mol; (15)Boiling Point: 303.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00164 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2C(C1)C3CC2CC3OC(=S)S.[K]
(2)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);
(3)InChIKey: YFUFHKMDCZBHMY-UHFFFAOYSA-N