Cas no 59303-03-6 (1-Propanone,1-(3-methyl-2-thienyl)-)
59303-03-6 structure
Product Name:1-Propanone,1-(3-methyl-2-thienyl)-
CAS No:59303-03-6
MF:C8H10OS
MW:154.229401111603
CID:386178
PubChem ID:255134
Update Time:2025-04-19
1-Propanone,1-(3-methyl-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(3-methyl-2-thienyl)-
- 1-(3-methylthiophen-2-yl)propan-1-one
- 3-METHYL-2-PROPIONYLTHIOPHENE
- 1-(3-methyl-[2]thienyl)-propan-1-one
- NSC-80388
- SCHEMBL6129997
- 59303-03-6
- DTXSID00292120
- AKOS010867588
- 1-(3-Methyl-thiophen-2-yl)-propan-1-one
- NSC80388
-
- Inchi： 1S/C8H10OS/c1-3-7(9)8-6(2)4-5-10-8/h4-5H,3H2,1-2H3
- InChI Key： BNYWLRXOYPUFKD-UHFFFAOYSA-N
- SMILES： S1C=CC(C)=C1C(CC)=O
Computed Properties
- Exact Mass: 154.04500
- Monoisotopic Mass: 154.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 133
- 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
- Topological Polar Surface Area: 45.3A^2
- XLogP3: 2.5
Experimental Properties
- Density: 1.076
- Boiling Point: 245.8°C at 760 mmHg
- Flash Point: 102.5°C
- Refractive Index: 1.528
- PSA: 45.31000
- LogP: 2.64920
1-Propanone,1-(3-methyl-2-thienyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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