Cas no 91505-26-9 (1-(5-chloro-4-methylthiophen-2-yl)ethanone)
91505-26-9 structure
Product Name:1-(5-chloro-4-methylthiophen-2-yl)ethanone
CAS No:91505-26-9
MF:C7H7ClOS
MW:174.647879838943
CID:2120257
PubChem ID:13376217
Update Time:2025-04-21
1-(5-chloro-4-methylthiophen-2-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-chloro-4-methylthiophen-2-yl)ethanone
- (5-Chloro-4-methyl-2-thienyl)-methylketone
- DA-01055
- 2-Acetyl-5-chloro-4-methylthiophene
- 91505-26-9
- ROMCXPKYPGODDM-UHFFFAOYSA-N
- DTXSID601281366
- SCHEMBL10859551
- 1-(5-Chloro-4-methyl-2-thienyl)ethanone
- AKOS006317722
-
- MDL： MFCD12026298
- Inchi： 1S/C7H7ClOS/c1-4-3-6(5(2)9)10-7(4)8/h3H,1-2H3
- InChI Key： ROMCXPKYPGODDM-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C=C(C(C)=O)S1
Computed Properties
- Exact Mass: 173.9906137Da
- Monoisotopic Mass: 173.9906137Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 2.9
- Topological Polar Surface Area: 45.3?2
1-(5-chloro-4-methylthiophen-2-yl)ethanone Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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