CAS No.16718-12-0,2-(PHENYLTHIO)THIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16718-12-0
Name:	2-(PHENYLTHIO)THIOPHENE
Article Data:	26

Formula:	C₁₀H₈S₂
Molecular Weight:	192.306
Synonyms:	2-Phenylthiothiophene;Phenyl 2-thienyl sulfide;
Density:	1.24 g/cm³
Boiling Point:	304.7 °C at 760 mmHg
Flash Point:	138.1 °C
Safety:	24/25
PSA:	53.54000
LogP:	3.89930

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Specification

This chemical is called Thiophene, 2-(phenylthio)-, and its systematic name is 2-(phenylsulfanyl)thiophene. With the molecular formula of C₁₀H₈S₂, its product category is Ring Systems. The CAS registry number of this chemical is 16718-12-0. In addition, this chemical should be sealed in the ventilated and dry place, away from oxides. Avoid contacting with skin and eyes.

Other characteristics of the Thiophene, 2-(phenylthio)- can be summarised as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 807.78; (6)ACD/BCF (pH 7.4): 807.78; (7)ACD/KOC (pH 5.5): 4194.11; (8)ACD/KOC (pH 7.4): 4194.11; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.54 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 57.61 cm³; (15)Molar Volume: 154.6 cm³; (16)Polarizability: 22.84×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 52.33 kJ/mol; (21)Boiling Point: 304.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00155 mmHg at 25°C.

Production method of this chemical: The Thiophene, 2-(phenylthio)- could be obtained by the reactants of Thiophene, 2-(phenylthio)- and benzenethiol. This reaction needs the solvent of neat (no solvent). The yield is 88 %. In addition, this reaction should be taken for 10 minutes at ambient temperature.

The Thiophene, 2-(phenylthio)- could be obtained by the reactants of Thiophene, 2-(phenylthio)- and benzenethiol

You can still convert the following datas into molecular structure:
1.SMILES: S(c1ccccc1)c2sccc2
2.InChI: InChI=1/C10H8S2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H
3.InChIKey: JQTBWKNYWACCRU-UHFFFAOYAM