-
Name
Ethyl dithioacetate
- EINECS 212-801-4
- CAS No. 870-73-5
- Article Data18
- CAS DataBase
- Density 1.059 g/cm3
- Solubility
- Melting Point
- Formula C4H8S2
- Boiling Point 159.6 °C at 760 mmHg
- Molecular Weight 120.24
- Flash Point 46.1 °C
- Transport Information UN 3272
- Appearance
- Safety 26
- Risk Codes 10-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Aceticacid, dithio-, ethyl ester (7CI,8CI);Ethyl dithioacetate;Thioacetylthioethane;
- PSA 57.39000
- LogP 2.08680
Ethyl dithioacetate Specification
The Ethyl dithioacetate with the CAS number 870-73-5 is also called Ethane(dithioic) acid,ethyl ester. Its molecular formula is C4H8S2. The EINECS registry number is 212-801-4. This chemical belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfur Compounds; (3)Thiocarbonyl Compounds.
The properties of the Ethyl dithioacetate are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 9.96; (6)ACD/BCF (pH 7.4): 9.96; (7)ACD/KOC (pH 5.5): 180.32; (8)ACD/KOC (pH 7.4): 180.32; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.39 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 35.86 cm3; (15)Molar Volume: 113.5 cm3; (16)Polarizability: 14.21×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Enthalpy of Vaporization: 37.99 kJ/mol; (19)Vapour Pressure: 3.22 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(SCC)C
(2)InChI: InChI=1/C4H8S2/c1-3-6-4(2)5/h3H2,1-2H3
(3)InChIKey: KCOPWUJJPSTRIZ-UHFFFAOYAY
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