Cas no 142267-90-1 (3(2H)-Thiophenone,2-acetyldihydro-4-methyl- (9CI))
142267-90-1 structure
Product Name:3(2H)-Thiophenone,2-acetyldihydro-4-methyl- (9CI)
CAS No:142267-90-1
MF:C7H10O2S
MW:158.218101024628
CID:101178
PubChem ID:15030535
Update Time:2025-04-18
3(2H)-Thiophenone,2-acetyldihydro-4-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Thiophenone,2-acetyldihydro-4-methyl- (9CI)
- 2-acetyl-4-methylthiolan-3-one
- 3(2H)-Thiophenone, 2-acetyldihydro-4-methyl- (9CI)
- SCHEMBL9588280
- 2-acetyl-3-keto-4-methyl-4,5-dihydrothiophene
- DIDRMTPJWQJALM-UHFFFAOYSA-N
- 142267-90-1
-
- Inchi： 1S/C7H10O2S/c1-4-3-10-7(5(2)8)6(4)9/h4,7H,3H2,1-2H3
- InChI Key： DIDRMTPJWQJALM-UHFFFAOYSA-N
- SMILES： S1CC(C)C(C1C(C)=O)=O
Computed Properties
- Exact Mass: 158.0402
- Monoisotopic Mass: 158.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 34.14
3(2H)-Thiophenone,2-acetyldihydro-4-methyl- (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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