Cas no 94855-95-5 (Benzenamine, 3-(methylthio)-, hydrochloride)
94855-95-5 structure
Product Name:Benzenamine, 3-(methylthio)-, hydrochloride
CAS No:94855-95-5
MF:C7H10ClNS
MW:175.678999423981
CID:752079
PubChem ID:70516442
Update Time:2025-04-19
Benzenamine, 3-(methylthio)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-(methylthio)-, hydrochloride
- 3-methylsulfanylaniline,hydrochloride
- 3-Methylmercapto-anilin,Hydrochlorid
- 3-methylsulfanyl-aniline,hydrochloride
- 3-methylthioaniline hydrochloride
- 3-methylthiophenylamine hydrochloride
- 94855-95-5
- DTXSID70742223
- SCHEMBL11115572
- 3-(Methylsulfanyl)aniline--hydrogen chloride (1/1)
-
- Inchi： 1S/C7H9NS.ClH/c1-9-7-4-2-3-6(8)5-7;/h2-5H,8H2,1H3;1H
- InChI Key： IOKNGZWWQSLSQW-UHFFFAOYSA-N
- SMILES： Cl.S(C)C1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 175.02200
- Monoisotopic Mass: 175.0222482g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 85
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.3?2
Experimental Properties
- PSA: 51.32000
- LogP: 3.37390
Benzenamine, 3-(methylthio)-, hydrochloride Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
94855-95-5 (Benzenamine, 3-(methylthio)-, hydrochloride) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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