Cas no 65605-24-5 (Benzenamine, 2-(ethylthio)-N-methyl-)
65605-24-5 structure
Product Name:Benzenamine, 2-(ethylthio)-N-methyl-
CAS No:65605-24-5
MF:C9H13NS
MW:167.27122092247
CID:398257
PubChem ID:12475154
Update Time:2025-04-19
Benzenamine, 2-(ethylthio)-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-(ethylthio)-N-methyl-
- 2-ethylsulfanyl-N-methylaniline
- 65605-24-5
- SCHEMBL14383870
- 2-(Ethylsulfanyl)-N-methylaniline
- AKOS012389589
- DTXSID40499676
-
- Inchi： 1S/C9H13NS/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7,10H,3H2,1-2H3
- InChI Key： UWVDOQUQFSQDOV-UHFFFAOYSA-N
- SMILES： S(CC)C1C=CC=CC=1NC
Computed Properties
- Exact Mass: 167.07699
- Monoisotopic Mass: 167.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 106
- 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: 2.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 12.03
Benzenamine, 2-(ethylthio)-N-methyl- Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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