Cas no 23373-38-8 (Benzenesulfonic acid,2-methyl-, methyl ester)
23373-38-8 structure
Product Name:Benzenesulfonic acid,2-methyl-, methyl ester
CAS No:23373-38-8
MF:C8H10O3S
MW:186.228201389313
CID:276061
PubChem ID:90076
Update Time:2025-04-19
Benzenesulfonic acid,2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2-methyl-, methyl ester
- Methyl 2-methylbenzenesulfonate
- Methyl o-toluenesulfonate
- o-Toluenesulfonicacid, methyl ester (6CI,8CI)
- SCHEMBL260819
- 2-Methylbenzenesulfonic acid, methyl ester
- W-110741
- NS00047564
- DTXSID9066885
- Benzenesulfonic acid, 2-methyl-, methyl ester
- Methyl 2-methylbenzenesulfonate #
- 23373-38-8
- Benzenesulfonic acid, methyl-, methyl ester
-
- Inchi： 1S/C8H10O3S/c1-7-5-3-4-6-8(7)12(9,10)11-2/h3-6H,1-2H3
- InChI Key： AXCVRQKOVCRCIX-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C)(=O)(=O)OC
Computed Properties
- Exact Mass: 186.035
- Monoisotopic Mass: 186.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 227
- 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: 1.6
- Topological Polar Surface Area: 51.8A^2
Experimental Properties
- Density: 1.41
- Boiling Point: 289.2°Cat760mmHg
- Flash Point: > 150oC
- Refractive Index: 1.534
- PSA: 51.75000
- LogP: 2.41090
Benzenesulfonic acid,2-methyl-, methyl ester Related Literature
-
Roberta J. Worthington,Adam P. O'Rourke,Jordi Morral,T. H. Samuel Tan,Jason Micklefield Org. Biomol. Chem. 2007 5 249
-
Joseph P. Michael Nat. Prod. Rep. 2007 24 191
-
T. H. Samuel Tan,Roberta J. Worthington,Robin G. Pritchard,Jordi Morral,Jason Micklefield Org. Biomol. Chem. 2007 5 239
23373-38-8 (Benzenesulfonic acid,2-methyl-, methyl ester) Related Products
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