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CAS No.: | 69202-24-0 |
---|---|
Name: | 5-(4-METHOXYPHENYL)-2-THIOPHENECARBOHYDRAZIDE |
Molecular Structure: | |
Formula: | C12H12N2O2S |
Molecular Weight: | 248.305 |
Synonyms: | 5-(4-Methoxyphenyl)-2-thiophenecarbohydrazide; |
Density: | 1.268 g/cm3 |
Melting Point: | 195-198 ºC |
Hazard Symbols: | Xi |
PSA: | 92.59000 |
LogP: | 3.11840 |
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The 2-Thiophenecarboxylicacid, 5-(4-methoxyphenyl)-, hydrazide, with the CAS registry number 69202-24-0, is also known as 5-(4-Methoxyphenyl)-2-thiophenecarbohydrazide. It belongs to the product category of Thiophene. This chemical's molecular formula is C12H12N2O2S and molecular weight is 248.3. What's more, both its IUPAC name and systematic name are the same which is called 5-(4-Methoxyphenyl)thiophene-2-carbohydrazide. In addition, this chemical may cause inflammation to the skin or other mucous membranes
Physical properties about 2-Thiophenecarboxylicacid, 5-(4-methoxyphenyl)-, hydrazide are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.29; (6)ACD/BCF (pH 7.4): 14.33; (7)ACD/KOC (pH 5.5): 233.42; (8)ACD/KOC (pH 7.4): 234.03; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.02 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 68.43 cm3; (15)Molar Volume: 195.7 cm3; (16)Polarizability: 27.12×10-24 cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.268 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2sc(c1ccc(OC)cc1)cc2)NN
(2) InChI: InChI=1/C12H12N2O2S/c1-16-9-4-2-8(3-5-9)10-6-7-11(17-10)12(15)14-13/h2-7H,13H2,1H3,(H,14,15)
(3) InChIKey: RQNCKVGCHJREPC-UHFFFAOYAI