CAS No.20054-45-9,N-methyl-2-sulfanylbenzamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	20054-45-9
Name:	N-methyl-2-sulfanylbenzamide
Article Data:	17

Formula:	C₈H₉NOS
Molecular Weight:	167.232
Synonyms:	Benzamide,o-mercapto-N-methyl- (7CI,8CI);o-Mercapto-N-methylbenzamide;2-Mercapto-N-methylbenzamide;
EINECS:	633-825-5
Density:	1.174 g/cm³
Melting Point:	94-96 °C
Boiling Point:	326.2 °C at 760 mmHg
Flash Point:	151.1 °C
PSA:	71.39000
LogP:	1.90970

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Specification

The CAS register number of Benzamide,2-mercapto-N-methyl- is 20054-45-9. It also can be called as 2-Mercapto-N-methylbenzamide and the systematic name about this chemical is N-methyl-2-sulfanylbenzamide. The molecular formula about this chemical is C₈H₉NOS and the molecular weight is 167.23.

Physical properties about Benzamide,2-mercapto-N-methyl- are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 1.26; (3)ACD/LogD (pH 7.4): 0.07; (4)ACD/BCF (pH 5.5): 5.12; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 105.49; (7)ACD/KOC (pH 7.4): 6.73; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.61Å²; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 48.05 cm³; (14)Molar Volume: 142.3 cm³; (15)Polarizability: 19.04x10^-24cm³; (16)Surface Tension: 45 dyne/cm; (17)Enthalpy of Vaporization: 56.84 kJ/mol; (18)Boiling Point: 326.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000219 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2'-disulfanediyl-di-benzoic acid bis-methylamide. This reaction will need reagent Zn, aq. HCl.

Uses of Benzamide,2-mercapto-N-methyl-: it can be used to produce N-methyl-2-(4-nitro-phenylsulfanyl)-benzamide with 2-mercapto-N-methyl-benzamide at heating. This reaction will need reagent Cu₂O and solvent pyridine with reaction time of 2 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1S)NC
(2)InChI: InChI=1/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)
(3)InChIKey: VIFOAZNEQRHREM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H9NOS/c1-9-8(10)6-4-2-3-5-7(6)11/h2-5,11H,1H3,(H,9,10)
(5)Std. InChIKey: VIFOAZNEQRHREM-UHFFFAOYSA-N