Benzoic acid,4-amino-5-(ethylthio)-2-methoxy- (71675-86-0)

The 2-Methoxy-4-amino-5-ethylthiobenzoic acid, with CAS registry number 71675-86-0, belongs to the following product categories: (1)Aromatics Compounds; (2)Aromatics; (3)Sulfur & Selenium Compounds. Its systematic name and its IUPAC name are the same, which is 4-amino-5-(ethylsulfanyl)-2-methoxybenzoic acid. This chemical is a kind of slightly yellow solid. What;s more, its EINECS is 275-832-2.

Physical properties of 2-Methoxy-4-amino-5-ethylthiobenzoic acid: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.07 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 60.28 cm³; (15)Molar Volume: 173.2 cm³; (16)Polarizability: 23.89×10^-24cm³; (17)Surface Tension: 60.4 dyne/cm; (18)Enthalpy of Vaporization: 68.97 kJ/mol; (19)Vapour Pressure: 3.27E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(SCC)c(cc1OC)N
(2)InChI: InChI=1/C10H13NO3S/c1-3-15-9-4-6(10(12)13)8(14-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
(3)InChIKey: BVCKAIGDWABZIE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H13NO3S/c1-3-15-9-4-6(10(12)13)8(14-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)
(5)Std. InChIKey: BVCKAIGDWABZIE-UHFFFAOYSA-N