Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
2-chloro-N-(3-cyano-2-thienyl)acetamide(SALTDATA: FREE) |
Article Data | 3 |
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