4-Amino-2'-(methylthio)biphenyl - CAS 209731-61-3
Catalog: |
BB061396 |
Product Name: |
4-Amino-2'-(methylthio)biphenyl |
CAS: |
209731-61-3 |
Synonyms: |
2'-(Methylthio)-[1,1'-biphenyl]-4-amine; 4-Amino-2'-(methylthio)biphenyl; 4-(2-methylsulfanylphenyl)aniline |
IUPAC Name: | 4-(2-methylsulfanylphenyl)aniline |
Description: | 4-Amino-2'-(methylthio)biphenyl |
Molecular Weight: | 215.31 |
Molecular Formula: | C13H13NS |
Canonical SMILES: | CSC1=CC=CC=C1C2=CC=C(C=C2)N |
InChI: | InChI=1S/C13H13NS/c1-15-13-5-3-2-4-12(13)10-6-8-11(14)9-7-10/h2-9H,14H2,1H3 |
InChI Key: | ORLHVUBLPZUJIS-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.07687059 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.07687059 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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