Cas no 61628-65-7 (2-Pentanone, 3-(ethylthio)-4,4-dimethyl-)
61628-65-7 structure
Product Name:2-Pentanone, 3-(ethylthio)-4,4-dimethyl-
CAS No:61628-65-7
MF:C9H18OS
MW:174.303621768951
CID:472187
PubChem ID:12294505
Update Time:2025-04-19
2-Pentanone, 3-(ethylthio)-4,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-(ethylthio)-4,4-dimethyl-
- 3-ethylsulfanyl-4,4-dimethylpentan-2-one
- 61628-65-7
- DTXSID40485317
-
- Inchi: 1S/C9H18OS/c1-6-11-8(7(2)10)9(3,4)5/h8H,6H2,1-5H3
- InChI Key: PWPXOYMYDDFUQR-UHFFFAOYSA-N
- SMILES: S(CC)C(C(C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 174.10794
- Monoisotopic Mass: 174.10783637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 135
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Pentanone, 3-(ethylthio)-4,4-dimethyl- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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