Cas no 168850-69-9 (Methyl 4,5-dimethylthiophene-2-carboxylate)
168850-69-9 structure
Product Name:Methyl 4,5-dimethylthiophene-2-carboxylate
CAS No:168850-69-9
MF:C8H10O2S
MW:170.228801250458
CID:98541
PubChem ID:10012331
Update Time:2025-04-18
Methyl 4,5-dimethylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4,5-dimethylthiophene-2-carboxylate
- 2-Thiophenecarboxylicacid, 4,5-dimethyl-, methyl ester
- 3,4-DIMETHOXYTHIOPHENOL
- 4,5-dimethyl-2-thiophenecarboxylic acid methyl ester
- 5-methoxycarbonyl-2,3-dimethylthiophene
- QC-5993
- Methyl4,5-dimethylthiophene-2-carboxylate
- AKOS006239995
- 168850-69-9
- J-522678
- DTXSID60434084
- XXADHBPGMPBSBE-UHFFFAOYSA-N
- SCHEMBL9925990
- A811028
-
- Inchi： 1S/C8H10O2S/c1-5-4-7(8(9)10-3)11-6(5)2/h4H,1-3H3
- InChI Key： XXADHBPGMPBSBE-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=CC(C)=C1C
Computed Properties
- Exact Mass: 170.04000
- Monoisotopic Mass: 170.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.6
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 54.54000
- LogP: 2.15150
Methyl 4,5-dimethylthiophene-2-carboxylate Related Literature
-
Thies Thiemann,Daisuke Ohira,Yuanquiang Li,Tsuyoshi Sawada,Masahiko Taniguchi,Masashi Tashiro,Shuntaro Mataka New J. Chem. 1999 23 675
168850-69-9 (Methyl 4,5-dimethylthiophene-2-carboxylate) Related Products
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