Cas no 62639-14-9 (Benzenamine, 2-[(methylthio)methyl]-4-(trifluoromethyl)-)
![Benzenamine, 2-[(methylthio)methyl]-4-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/63000/62639-14-9x500.png)
62639-14-9 structure
Product Name:Benzenamine, 2-[(methylthio)methyl]-4-(trifluoromethyl)-
CAS No:62639-14-9
MF:C9H10F3NS
MW:221.242611408234
CID:436951
PubChem ID:9813253
Update Time:2025-04-19
Benzenamine, 2-[(methylthio)methyl]-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-[(methylthio)methyl]-4-(trifluoromethyl)-
- 2-(methylsulfanylmethyl)-4-(trifluoromethyl)aniline
- DTXSID50431062
- 62639-14-9
- alpha-methylthio-4-trifluoromethyl-o-toluidine
- 2-[(methylthio)methyl]4-(trifluoromethyl)benzenamine
- 2-[(methylthio)methyl]-4-(trifluoromethyl)benzenamine
- SCHEMBL3984430
-
- Inchi： 1S/C9H10F3NS/c1-14-5-6-4-7(9(10,11)12)2-3-8(6)13/h2-4H,5,13H2,1H3
- InChI Key： IMVKODTWWSSKIT-UHFFFAOYSA-N
- SMILES： S(C)CC1C=C(C(F)(F)F)C=CC=1N
Computed Properties
- Exact Mass: 221.0487
- Monoisotopic Mass: 221.04860498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- 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: 2.6
- Topological Polar Surface Area: 51.3?2
Experimental Properties
- PSA: 26.02
Benzenamine, 2-[(methylthio)methyl]-4-(trifluoromethyl)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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