Cas no 108664-83-1 (3-phenyl-1-thiophen-3-ylpropan-1-one)
108664-83-1 structure
Product Name:3-phenyl-1-thiophen-3-ylpropan-1-one
CAS No:108664-83-1
MF:C13H12OS
MW:216.298782348633
CID:1186699
PubChem ID:11344963
Update Time:2025-04-20
3-phenyl-1-thiophen-3-ylpropan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 3-phenyl-1-thiophen-3-ylpropan-1-one
- DTXSID20463017
- 1-Propanone, 3-phenyl-1-(3-thienyl)-
- 108664-83-1
- SCHEMBL15574231
-
- Inchi： 1S/C13H12OS/c14-13(12-8-9-15-10-12)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2
- InChI Key： AMQYEBGXBHJSDK-UHFFFAOYSA-N
- SMILES： S1C=CC(=C1)C(CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 216.06088618g/mol
- Monoisotopic Mass: 216.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 209
- 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: 3.2
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 45.31000
- LogP: 3.56360
3-phenyl-1-thiophen-3-ylpropan-1-one Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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