Methyl 4-amino-2-methoxy-5-thiocyanobenzoate supplier

Name
Methyl 4-amino-2-methoxy-5-thiocyanobenzoate
EINECS 261-639-0
CAS No. 59168-56-8
Article Data3
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 160-165°C
Formula C₁₀H₁₀N₂O₃S
Boiling Point 422 °C at 760 mmHg
Molecular Weight 238.267
Flash Point 209 °C
Transport Information
Appearance yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-5-(cyanosulfanyl)-2-methoxybenzoicacid methyl ester;Methyl 4-amino-2-methoxy-5-thiocyanatobenzoate;
PSA 110.64000
LogP 2.21838

Methyl 4-amino-2-methoxy-5-thiocyanobenzoate Specification

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

Product Name

Methyl 4-amino-2-methoxy-5-thiocyanobenzoate

Methyl 4-amino-2-methoxy-5-thiocyanobenzoate Specification

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