Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-amino-2-methoxy-5-thiocyanobenzoate |
EINECS | 261-639-0 |
CAS No. | 59168-56-8 | Density | 1.35 g/cm3 |
PSA | 110.64000 | LogP | 2.21838 |
Solubility | N/A | Melting Point |
160-165°C |
Formula | C10H10N2O3S | Boiling Point | 422 °C at 760 mmHg |
Molecular Weight | 238.267 | Flash Point | 209 °C |
Transport Information | N/A | Appearance | yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-5-(cyanosulfanyl)-2-methoxybenzoicacid methyl ester;Methyl 4-amino-2-methoxy-5-thiocyanatobenzoate; |
Article Data | 3 |
This chemical is called Methyl 4-amino-2-methoxy-5-thiocyanobenzoate, and it can also be named as benzoic acid, 4-amino-2-methoxy-5-thiocyanato-, methyl ester. With the molecular formula of C10H10N2O3S, its molecular weight is 238.26. The CAS registry number of this chemical is 59168-56-8, and its product categories are Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds. Additionally, this chemical is yellow solid.
Other characteristics of the Methyl 4-amino-2-methoxy-5-thiocyanobenzoate can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.57; (6)ACD/BCF (pH 7.4): 12.57; (7)ACD/KOC (pH 5.5): 213.01; (8)ACD/KOC (pH 7.4): 213.01; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 87.86 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 60.43 cm3; (15)Molar Volume: 175.7 cm3; (16)Polarizability: 23.95×10-24cm3; (17)Surface Tension: 63.3 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 209 °C; (20)Enthalpy of Vaporization: 67.61 kJ/mol; (21)Boiling Point: 422 °C at 760 mmHg; (22)Vapour Pressure: 2.5E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#CSc1cc(c(OC)cc1N)C(=O)OC
2.InChI: InChI=1/C10H10N2O3S/c1-14-8-4-7(12)9(16-5-11)3-6(8)10(13)15-2/h3-4H,12H2,1-2H3
3.InChIKey: IRGMWPMUTWZIIJ-UHFFFAOYAA