Cas no 101267-04-3 (Ethanone, 1-[4-(pentylthio)phenyl]-)
![Ethanone, 1-[4-(pentylthio)phenyl]- structure](https://ossimg.kuujia.com/scimg/101500/101267-04-3x500.png)
101267-04-3 structure
Product Name:Ethanone, 1-[4-(pentylthio)phenyl]-
CAS No:101267-04-3
MF:C13H18OS
MW:222.346422672272
CID:1128532
PubChem ID:7471994
Update Time:2025-04-20
Ethanone, 1-[4-(pentylthio)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4-(pentylthio)phenyl]-
- starbld0010166
- AKOS013704392
- 1-[4-(pentylsulfanyl)phenyl]ethan-1-one
- 1-[4-(pentylsulfanyl)phenyl]ethanone
- 4'-(n-Pentylthio)acetophenone
- 1-(4-(Pentylthio)phenyl)ethan-1-one
- AN-651/05556008
- SCHEMBL6272928
- 1-(4-pentylsulfanylphenyl)ethanone
- 101267-04-3
-
- MDL： MFCD06655960
- Inchi： 1S/C13H18OS/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9H,3-5,10H2,1-2H3
- InChI Key： WAJYAZBDIZDEPV-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(C)=O)=CC=1)CCCCC
Computed Properties
- Exact Mass: 222.10794
- Monoisotopic Mass: 222.10783637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- 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: 3.9
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-[4-(pentylthio)phenyl]- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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