-
Name
2-CHLORO-N-(3-CYANO-THIOPHEN-2-YL)-ACETAMIDE
- EINECS
- CAS No. 55654-19-8
- Article Data3
- CAS DataBase
- Density 1.44g/cm3
- Solubility
- Melting Point
- Formula C7H5ClN2OS
- Boiling Point 442.7 °C at 760 mmHg
- Molecular Weight 200.649
- Flash Point 221.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-chloro-N-(3-cyano-2-thienyl)acetamide(SALTDATA: FREE)
- PSA 81.13000
- LogP 1.87008
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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