Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate |
EINECS | N/A |
CAS No. | 82424-54-2 | Density | 1.311 g/cm3 |
PSA | 102.68000 | LogP | 2.76870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12N2O3S | Boiling Point | 357.523 °C at 760 mmHg |
Molecular Weight | 264.305 | Flash Point | 170.024 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate 97%; |
Article Data | 2 |
The CAS register number of Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate is 82424-54-2. It also can be called as Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate 97% and the systematic name about this chemical is methyl 4-amino-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxylate. The molecular formula about this chemical is C12H12N2O3S and the molecular weight is 264.3.
Physical properties about Methyl 4-amino-3-(4-methoxyphenyl)isothiazole-5-carboxylate are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 44; (5)ACD/BCF (pH 7.4): 44; (6)ACD/KOC (pH 5.5): 522; (7)ACD/KOC (pH 7.4): 522; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 102.68 Å2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 70.008 cm3; (14)Molar Volume: 201.597 cm3; (15)Polarizability: 27.753x10-24cm3; (16)Surface Tension: 53.528 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 170.024 °C; (19)Enthalpy of Vaporization: 60.29 kJ/mol; (20)Boiling Point: 357.523 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2snc(c1ccc(OC)cc1)c2N
(2)InChI: InChI=1/C12H12N2O3S/c1-16-8-5-3-7(4-6-8)10-9(13)11(18-14-10)12(15)17-2/h3-6H,13H2,1-2H3
(3)InChIKey: YYHKNECMRVXILO-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H12N2O3S/c1-16-8-5-3-7(4-6-8)10-9(13)11(18-14-10)12(15)17-2/h3-6H,13H2,1-2H3
(5)Std. InChIKey: YYHKNECMRVXILO-UHFFFAOYSA-N