sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Benzenemethanamine, 4-(2-thienyl)-

Benzenemethanamine, 4-(2-thienyl)-

CAS No.:
203436-48-0
Catalog Number:
AG0028W0
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0028W0
Chemical Name:
Benzenemethanamine, 4-(2-thienyl)-
CAS Number:
203436-48-0
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
MDL Number:
MFCD02682030
IUPAC Name:
(4-thiophen-2-ylphenyl)methanamine
InChI:
InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
InChI Key:
YKNLMMDEWQZCLJ-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)c1cccs1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. Journal of medicinal chemistry 20100128
Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. Journal of medicinal chemistry 20090813
Properties