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Home Other Building Blocks 2-(benzylsulfanyl)aniline

2-(benzylsulfanyl)aniline

CAS No.:
6325-92-4
Catalog Number:
AG019O95
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
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Product Description
Catalog Number:
AG019O95
Chemical Name:
2-(benzylsulfanyl)aniline
CAS Number:
6325-92-4
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
MDL Number:
MFCD00025188
IUPAC Name:
2-benzylsulfanylaniline
InChI:
InChI=1S/C13H13NS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChI Key:
YOLYJTSQMGIQOP-UHFFFAOYSA-N
SMILES:
Nc1ccccc1SCc1ccccc1
EC Number:
228-690-0
NSC Number:
31147
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
2-[2-(Benzyl-sulfan-yl)phen-yl]-1,1,3,3-tetra-methyl-guanidine. Acta crystallographica. Section E, Structure reports online 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
1-Benzyl-sulfanyl-2-[(2-chloro-phen-yl)diazen-yl]benzene. Acta crystallographica. Section E, Structure reports online 20100801
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