Home Other Building Blocks 4-[(pyridin-3-ylmethyl)sulfanyl]aniline

4-[(pyridin-3-ylmethyl)sulfanyl]aniline

CAS No.:
125382-42-5
Catalog Number:
AG019PNH
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
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Product Description
Catalog Number:
AG019PNH
Chemical Name:
4-[(pyridin-3-ylmethyl)sulfanyl]aniline
CAS Number:
125382-42-5
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD02755401
IUPAC Name:
4-(pyridin-3-ylmethylsulfanyl)aniline
InChI:
InChI=1S/C12H12N2S/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8H,9,13H2
InChI Key:
MMBPOQASTKXFCX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)SCc1cccnc1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties