2-[2-(Methylthio)phenyl]ethylamine - CAS 118468-19-2
Catalog: |
BB004112 |
Product Name: |
2-[2-(Methylthio)phenyl]ethylamine |
CAS: |
118468-19-2 |
Synonyms: |
2-[2-(methylthio)phenyl]ethanamine; 2-(2-methylsulfanylphenyl)ethanamine |
IUPAC Name: | 2-(2-methylsulfanylphenyl)ethanamine |
Description: | 2-[2-(Methylthio)phenyl]ethylamine (CAS# 118468-19-2 ) is a useful research chemical. |
Molecular Weight: | 167.27 |
Molecular Formula: | C9H13NS |
Canonical SMILES: | CSC1=CC=CC=C1CCN |
InChI: | InChI=1S/C9H13NS/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3 |
InChI Key: | HUPMTHPVTFZUPF-UHFFFAOYSA-N |
LogP: | 2.61000 |
Publication Number | Title | Priority Date |
AU-2009262274-A1 | 6-substituted phenoxychroman carboxylic acid derivatives | 20080625 |
AU-2009262274-B2 | 6-substituted phenoxychroman carboxylic acid derivatives | 20080625 |
CA-2729217-A1 | 6-substituted phenoxychroman carboxylic acid derivatives | 20080625 |
CA-2729217-C | 6-substituted phenoxychroman carboxylic acid derivatives | 20080625 |
EP-2307397-A1 | 6-substituted phenoxychroman carboxylic acid derivatives | 20080625 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.07687059 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.07687059 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Amines and Anilines
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