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Benzenecarbothioamide,2-methoxy-

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Name

Benzenecarbothioamide,2-methoxy-

EINECS N/A
CAS No. 42590-97-6 Density 1.194 g/cm3
PSA 67.34000 LogP 2.02970
Solubility N/A Melting Point 110 -113 °C
Formula C8H9NOS Boiling Point 299.4 °C at 760 mmHg
Molecular Weight 167.232 Flash Point 134.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 42590-97-6 (2-METHOXY-THIOBENZAMIDE) Hazard Symbols Xi
Synonyms

2-Methoxythiobenzamide;o-Methoxythiobenzamide;

Article Data 11

Benzenecarbothioamide,2-methoxy- Specification

The Benzenecarbothioamide,2-methoxy-, with the CAS registry number 42590-97-6, is also known as 2-Methoxythiobenzamide. It belongs to the product category of Thioamide. This chemical's molecular formula is C8H9NOS and molecular weight is 167.2282. Its systematic name is called 2-methoxybenzenecarbothioamide.

Physical properties of Benzenecarbothioamide,2-methoxy-: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 4.98; (5)ACD/BCF (pH 7.4): 4.98; (6)ACD/KOC (pH 5.5): 109.86; (7)ACD/KOC (pH 7.4): 109.87; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 49.12 cm3; (13)Molar Volume: 140 cm3; (14)Surface Tension: 54.1 dyne/cm; (15)Density: 1.194 g/cm3; (16)Flash Point: 134.9 °C; (17)Enthalpy of Vaporization: 53.94 kJ/mol; (18)Boiling Point: 299.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0012 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(c1ccccc1OC)N
(2)InChI: InChI=1/C8H9NOS/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5H,1H3,(H2,9,11)
(3)InChIKey: YNEHBLLUZJTDOL-UHFFFAOYAD

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