-
Name
O-ethyl hydrogen dithiocarbonate
- EINECS 205-780-8
- CAS No. 151-01-9
- Article Data40
- CAS DataBase
- Density 1.181 g/cm3
- Solubility
- Melting Point 140 °C
- Formula C3H6OS2
- Boiling Point 120.5 °C at 760mmHg
- Molecular Weight 122.212
- Flash Point 26.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Carbonicacid, dithio-, O-ethyl ester (8CI);Dithiocarbonic acid O-ethyl ester;Ethylxanthogenate;Ethylxanthate;Ethylxanthic acid;O-Ethyl dithiocarbonate;O-Ethylxanthate;Xanthate;Xanthic acid, ethyl-;Xanthogenic acid;Xanthogenicacid, ethyl-;
- PSA 91.12000
- LogP 1.78530
Ethylxanthate Consensus Reports
Reported in EPA TSCA Inventory.
Ethylxanthate Specification
The Ethylxanthate is an organic compound with the formula C3H6OS2. The IUPAC name of this chemical is ethoxymethanedithioic acid. With the CAS registry number 151-01-9, it is also named as Carbonic acid, dithio-, O-ethyl ester. The classification codes are Anti-infective agents; Mutation data. Additionally, the related registry numbers are 140-89-6 (potassium salt) and 140-90-9 (hydrochloride salt). When heated to decomposition Ethylxanthate emits toxic vapors of SOx.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.39; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 32.87 cm3; (14)Molar Volume: 103.4 cm3; (15)Polarizability: 13.03×10-24 cm3; (16)Surface Tension: 46.1 dyne/cm; (17)Enthalpy of Vaporization: 34.38 kJ/mol; (18)Vapour Pressure: 18.2 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 121.986006; (21)MonoIsotopic Mass: 121.986006; (22)Topological Polar Surface Area: 42.3; (23)Heavy Atom Count: 6.
People can use the following data to convert to the molecule structure.
1. SMILES:S=C(OCC)S
2. InChI:InChI=1/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View