Cas no 62159-30-2 (Benzenamine, 2-[(methylsulfinyl)methyl]-4-(trifluoromethyl)-)
62159-30-2 structure
Product Name:Benzenamine, 2-[(methylsulfinyl)methyl]-4-(trifluoromethyl)-
CAS No:62159-30-2
MF:C9H10F3NOS
MW:237.242011547089
CID:456006
PubChem ID:9964708
Update Time:2025-04-19
Benzenamine, 2-[(methylsulfinyl)methyl]-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-[(methylsulfinyl)methyl]-4-(trifluoromethyl)-
- 2-(methylsulfinylmethyl)-4-(trifluoromethyl)aniline
- 62159-30-2
- SCHEMBL6063857
- alpha-methylsulfinyl-4-trifluoromethyl-o-toluidine
- DTXSID80433413
-
- Inchi: 1S/C9H10F3NOS/c1-15(14)5-6-4-7(9(10,11)12)2-3-8(6)13/h2-4H,5,13H2,1H3
- InChI Key: SWBBXKASFTWWHM-UHFFFAOYSA-N
- SMILES: S(C)(CC1C=C(C(F)(F)F)C=CC=1N)=O
Computed Properties
- Exact Mass: 237.0436
- Monoisotopic Mass: 237.04351960g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 1.2
- Topological Polar Surface Area: 62.3?2
Experimental Properties
- PSA: 43.09
Benzenamine, 2-[(methylsulfinyl)methyl]-4-(trifluoromethyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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