4-(phenylthio)benzenamine 4-(phenylthio)benzenamine

CAS 1135-14-4 MFCD00094027

化学结构图

1135-14-4
SMILES: Nc1ccc(Sc2ccccc2)cc1

化学属性

Mol. FormulaC12H11NS
Mol. Weight201.29
Melting Point95.85 °C
Boiling Point379.2±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-(phenylthio)benzenamine
CAS Number1135-14-4
Alfabeta NamePHENYLSULFANYLANILINE 4()-
MDL NumberMFCD00094027
Synonym 4-(Phenylthio)aniline {LY} 4-(Phenylthio)aniline {} {LY} 4-(Phenylthio)aniline {} {} {LY} 4-(Phenylthio)aniline {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Phenylthio)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(
Chemical Name Translation4-(phenylthio)benzenamine
Beilstein Registry Number1869503
InChIKeyTZQVSGOOKNNDFU-UHFFFAOYSA-N
LabNetwork Molecule IDLN00151143
PubChem Substance ID96081
InChIInChI=1S/C12H11NS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
Canonical SMILESC1=CC=C(C=C1)SC2=CC=C(C=C2)N
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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
RTECSCY1203360 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 80 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 263,13,1991

Storage condition

药物吸收、分布、代谢与排泄(ADME)

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

系列性分类

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