4-[(4-Methylphenyl)sulfanyl]aniline

CAS 22865-52-7 MFCD00172082

化学结构图

22865-52-7
SMILES: CC1C=CC(=CC=1)SC1C=CC(N)=CC=1

化学属性

Mol. FormulaC13H13NS
Mol. Weight215.32
Melting Point73-75.5°

别名和识别编码

Chemical Name4-[(4-Methylphenyl)sulfanyl]aniline
CAS Number22865-52-7
Alfabeta NameMETHYLPHENYLSULFANYLANILINE 44[]()--
MDL NumberMFCD00172082
Synonym 4-p-Tolylsulfanyl-phenylamine
Chemical Name Translation
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfide; 1fragment
  • {KO} Anilines

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

Warnings IRRITANT

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
0
Rotatable Bonds
2
H-bond Donors
1
LogP
3

系列性分类

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