CAS No.26824-02-2,2-mercaptoacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26824-02-2
Name:	2-mercaptoacetophenone
Article Data:	18

Formula:	C₈H₈OS
Molecular Weight:	152.217
Synonyms:	2'-Mercaptoacetophenone;o-Mercaptoacetophenone;Acetophenone,2'-mercapto- (7CI,8CI);1-(2-Mercaptophenyl)ethanone;
Density:	1.14 g/cm³
Boiling Point:	250.142 °C at 760 mmHg
Flash Point:	105.083 °C
PSA:	55.87000
LogP:	2.17790

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Specification

The Ethanone,1-(2-mercaptophenyl)-, with the CAS registry number 26824-02-2, is also known as Acetophenone,2'-mercapto- (7CI,8CI). This chemical's molecular formula is C₈H₈OS and molecular weight is 152.21352. What's more, its IUPAC name and systematic name are the same which is called 1-(2-sulfanylphenyl)ethanone.

Physical properties about Ethanone,1-(2-mercaptophenyl)-: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 234; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.87 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 44.456 cm³; (15)Molar Volume: 133.574 cm³; (16)Surface Tension: 42.453 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 105.083 °C; (19)Enthalpy of Vaporization: 48.74 kJ/mol; (20)Boiling Point: 250.142 °C at 760 mmHg; (21)Vapour Pressure: 0.022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1ccccc1S
(2) InChI: InChI=1/C8H8OS/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
(3) InChIKey: BUTXTARTNBKCLG-UHFFFAOYAU