Cas no 62639-16-1 (Benzenamine, 2-[(methylthio)methyl]-3-(trifluoromethyl)-)
![Benzenamine, 2-[(methylthio)methyl]-3-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/63000/62639-16-1x500.png)
62639-16-1 structure
Product Name:Benzenamine, 2-[(methylthio)methyl]-3-(trifluoromethyl)-
CAS No:62639-16-1
MF:C9H10F3NS
MW:221.242611408234
CID:436949
PubChem ID:20043404
Update Time:2025-04-19
Benzenamine, 2-[(methylthio)methyl]-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-[(methylthio)methyl]-3-(trifluoromethyl)-
- 2-(methylsulfanylmethyl)-3-(trifluoromethyl)aniline
- 62639-16-1
- DTXSID40601954
- SNQOMJXDZQDLHS-UHFFFAOYSA-N
- 2-[(Methylsulfanyl)methyl]-3-(trifluoromethyl)aniline
- SCHEMBL10534539
-
- Inchi： 1S/C9H10F3NS/c1-14-5-6-7(9(10,11)12)3-2-4-8(6)13/h2-4H,5,13H2,1H3
- InChI Key： SNQOMJXDZQDLHS-UHFFFAOYSA-N
- SMILES： S(C)CC1C(=CC=CC=1C(F)(F)F)N
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]-3-(trifluoromethyl)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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