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| CAS No.: | 22353-82-8 |
|---|---|
| Name: | 5-CHLORO-2-THIOPHENECARBOXAMIDE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C5H4ClNOS |
| Molecular Weight: | 161.612 |
| Synonyms: | 5-Chloro-2-thiophenecarboxamide; |
| Density: | 1.475 g/cm3 |
| Melting Point: | 179-181° |
| Boiling Point: | 277.623 °C at 760 mmHg |
| Flash Point: | 121.702 °C |
| PSA: | 71.33000 |
| LogP: | 2.20070 |
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- Total:28 Page 1 of 1 1
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Specification
The 2-Thiophenecarboxamide, 5-chloro-, with the CAS registry number 22353-82-8, is also known as 5-Chloro-2-thiophenecarboxamide. This chemical's molecular formula is C5H4ClNOS and molecular weight is 161.61. What's more, its IUPAC name is called 5-Chlorothiophene-2-carboxamide.
Physical properties about 2-Thiophenecarboxamide, 5-chloro- are: (1)ACD/LogP: 1.928; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.19; (6)ACD/BCF (pH 7.4): 17.19; (7)ACD/KOC (pH 5.5): 266.59; (8)ACD/KOC (pH 7.4): 266.59; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.33 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 38.463 cm3; (15)Molar Volume: 109.565 cm3; (16)Polarizability: 15.248×10-24 cm3; (17)Surface Tension: 56.76 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 121.702 °C; (20)Enthalpy of Vaporization: 51.62 kJ/mol; (21)Boiling Point: 277.623 °C at 760 mmHg; (22)Vapour Pressure: 0.0040 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1sc(Cl)cc1
(2) InChI: InChI=1S/C5H4ClNOS/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
(3) InChIKey: OMOBWMBJNNCUFO-UHFFFAOYSA-N