2'-Mercaptoacetophenone supplier

Name
2-mercaptoacetophenone
EINECS
CAS No. 26824-02-2
Article Data18
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₈H₈OS
Boiling Point 250.142 °C at 760 mmHg
Molecular Weight 152.217
Flash Point 105.083 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2'-Mercaptoacetophenone;o-Mercaptoacetophenone;Acetophenone,2'-mercapto- (7CI,8CI);1-(2-Mercaptophenyl)ethanone;
PSA 55.87000
LogP 2.17790

2'-Mercaptoacetophenone 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

Product Name

2-mercaptoacetophenone

2'-Mercaptoacetophenone Specification

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