CAS No.18853-32-2,3,4-DICYANOTHIOPHENE, Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18853-32-2
Name:	3,4-DICYANOTHIOPHENE,
Article Data:	26

Formula:	C₆H₂N₂S
Molecular Weight:	134.161
Synonyms:	3,4-Dicyanothiophene;NSC 149716;
EINECS:	200-110-4
Density:	1.342 g/cm³
Melting Point:	225.5-227.5 °C
Boiling Point:	338.962 °C at 760 mmHg
Flash Point:	158.799 °C
PSA:	75.82000
LogP:	1.49146

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Specification

The 3,4-Thiophenedicarbonitrile, with the CAS registry number 18853-32-2, is also known as 3,4-Dicyanothiophene. It belongs to the product categories of Boron, Nitrile, Thio& TM-Cpds; Heterocycles; Building Blocks; Cyano; Thiophene. This chemical's molecular formula is C₆H₂N₂S and molecular weight is 134.15848. Its IUPAC name is called thiophene-3,4-dicarbonitrile.

Physical properties of 3,4-Thiophenedicarbonitrile: (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.19; (5)ACD/BCF (pH 7.4): 2.19; (6)ACD/KOC (pH 5.5): 60.91; (7)ACD/KOC (pH 7.4): 60.91; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 34.02 cm³; (11)Molar Volume: 99.9 cm³; (12)Surface Tension: 66.5 dyne/cm; (13)Density: 1.34 g/cm³; (14)Flash Point: 158.8 °C; (15)Enthalpy of Vaporization: 58.24 kJ/mol; (16)Boiling Point: 339 °C at 760 mmHg; (17)Vapour Pressure: 9.49E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=CS1)C#N)C#N
(2)InChI: InChI=1S/C6H2N2S/c7-1-5-3-9-4-6(5)2-8/h3-4H
(3)InChIKey: JSLBLMYJYPZTEB-UHFFFAOYSA-N