Home Other Building Blocks N-(2-(Aziridin-1-yl)ethyl)-2-((2,4-dimethylphenyl)thio)aniline

N-(2-(Aziridin-1-yl)ethyl)-2-((2,4-dimethylphenyl)thio)aniline

CAS No.:
1928741-86-9
Catalog Number:
AG01E3K0
Molecular Formula:
C18H22N2S
Molecular Weight:
298.4457
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Product Description
Catalog Number:
AG01E3K0
Chemical Name:
N-(2-(Aziridin-1-yl)ethyl)-2-((2,4-dimethylphenyl)thio)aniline
CAS Number:
1928741-86-9
Molecular Formula:
C18H22N2S
Molecular Weight:
298.4457
MDL Number:
MFCD31629209
IUPAC Name:
N-[2-(aziridin-1-yl)ethyl]-2-(2,4-dimethylphenyl)sulfanylaniline
InChI:
InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)19-9-10-20-11-12-20/h3-8,13,19H,9-12H2,1-2H3
InChI Key:
AWHHLKAIICHHNB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)Sc1ccccc1NCCN1CC1
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.15g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.448g/mol
Monoisotopic Mass:
298.15g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties