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Acetamide,2-chloro-N-(3-cyano-2-thienyl)-

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Name

Acetamide,2-chloro-N-(3-cyano-2-thienyl)-

EINECS N/A
CAS No. 55654-19-8 Density 1.44g/cm3
PSA 81.13000 LogP 1.87008
Solubility N/A Melting Point N/A
Formula C7H5ClN2OS Boiling Point 442.7 °C at 760 mmHg
Molecular Weight 200.649 Flash Point 221.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 55654-19-8 (2-CHLORO-N-(3-CYANO-THIOPHEN-2-YL)-ACETAMIDE) Hazard Symbols N/A
Synonyms

2-chloro-N-(3-cyano-2-thienyl)acetamide(SALTDATA: FREE)

Article Data 3

Acetamide,2-chloro-N-(3-cyano-2-thienyl)- Specification

The Acetamide,2-chloro-N-(3-cyano-2-thienyl)-, with CAS registry number 55654-19-8, has the systematic name of 2-chloro-N-(3-cyanothiophen-2-yl)acetamide. Besides this, it is also called 2-Chloro-N-(3-cyano-2-thienyl)acetamide. And the chemical formula of this chemical is C7H5ClN2OS.

Physical properties of Acetamide,2-chloro-N-(3-cyano-2-thienyl)-: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 3.02; (7)ACD/KOC (pH 5.5): 76.73; (8)ACD/KOC (pH 7.4): 76.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.34 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 47.31 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 221.5 °C; (20)Enthalpy of Vaporization: 70.02 kJ/mol; (21)Boiling Point: 442.7 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(scc1)NC(=O)CCl
(2)InChI: InChI=1/C7H5ClN2OS/c8-3-6(11)10-7-5(4-9)1-2-12-7/h1-2H,3H2,(H,10,11)
(3)InChIKey: ZONGUZTWVAWQDI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H5ClN2OS/c8-3-6(11)10-7-5(4-9)1-2-12-7/h1-2H,3H2,(H,10,11)
(5)Std. InChIKey: ZONGUZTWVAWQDI-UHFFFAOYSA-N

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