Cas no 10436-83-6 (Ethanethioic acid,S-(4-methylphenyl) ester)
10436-83-6 structure
Product Name:Ethanethioic acid,S-(4-methylphenyl) ester
Ethanethioic acid,S-(4-methylphenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid,S-(4-methylphenyl) ester
- S-(4-methylphenyl) ethanethioate
- p-Thiocresol, S-acetyl-
- S-p-Tolyl thioacetate
- Einecs 233-921-3
- S-(P-TOLYL) THIOACETATE
- 4-Methyl-1-(acetylthio)benzene
- 1-(Acetylthio)-4-methylbenzene
- 1-[(4-methylphenyl)sulfanyl]ethan-1-one
- Thioacetic acid S-(p-methylphenyl) ester
- Thioacetic acid S-(4-methylphenyl) ester
- Ethanethioic acid S-(4-methylphenyl) ester
- Ethanethioic acid, S-(4-methylphenyl) ester
- DTXSID10146403
- SCHEMBL7518002
- NS00023298
- XSQUNQSLEIFIHF-UHFFFAOYSA-N
- ethanethioic acid S-(p-tolyl) ester
- AKOS024338867
- S-(4-methylphenyl) thioacetate
- 10436-83-6
- Thioacetic acid S-p-tolyl ester
-
- Inchi： 1S/C9H10OS/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
- InChI Key： XSQUNQSLEIFIHF-UHFFFAOYSA-N
- SMILES： S(C(C)=O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 166.0453
- Monoisotopic Mass: 166.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 42.4A^2
Experimental Properties
- Density: 1.1
- Boiling Point: 256°C at 760 mmHg
- Flash Point: 105.1°C
- Refractive Index: 1.563
- PSA: 17.07
- LogP: 2.63360
Ethanethioic acid,S-(4-methylphenyl) ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
10436-83-6 (Ethanethioic acid,S-(4-methylphenyl) ester) Related Products
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