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13730-34-2

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Basic Information
CAS No.: 13730-34-2
Name: diethyl tetrasulphide
Article Data: 24
Molecular Structure:
Molecular Structure of 13730-34-2 (diethyl tetrasulphide)
Formula: C4H10S4
Molecular Weight: 186.387
Synonyms: Ethyltetrasulfide (6CI,7CI,8CI);3,4,5,6-Tetrathiaoctane;Diethyl tetrasulfide;ICD1584;
EINECS: 237-298-9
Density: 1.238 g/cm3
Boiling Point: 273.6 °C at 760 mmHg
Flash Point: 122.7 °C
Appearance: COA
PSA: 101.20000
LogP: 3.70400
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Specification

The Diethyl tetrasulphide is an organic compound with the formula C4H10S4. The IUPAC name of this chemical is (ethyltetrasulfanyl)ethane. With the CAS registry number 13730-34-2, it is also named as Thioethyl compound.

Physical properties about Diethyl tetrasulphide are: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3874.53; (6)ACD/BCF (pH 7.4): 3874.53; (7)ACD/KOC (pH 5.5): 12883.7; (8)ACD/KOC (pH 7.4): 12883.7; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 101.2 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 52.56 cm3; (13)Molar Volume: 150.4 cm3; (14)Polarizability: 20.83×10-24cm3; (15)Surface Tension: 47 dyne/cm; (16)Density: 1.238 g/cm3; (17)Flash Point: 122.7 °C; (18)Enthalpy of Vaporization: 49.13 kJ/mol; (19)Boiling Point: 273.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0095 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanethiol. This reaction will need reagent CS2, S2Cl2.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SSSCC)CC
(2)InChI: InChI=1/C4H10S4/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3
(3)InChIKey: XFSWEOBOOZNZKZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H10S4/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3
(5)Std. InChIKey: XFSWEOBOOZNZKZ-UHFFFAOYSA-N