Home Halogens Benzenamine, 3-chloro-2-[(4-methylphenyl)thio]-

Benzenamine, 3-chloro-2-[(4-methylphenyl)thio]-

CAS No.:
199803-23-1
Catalog Number:
AG002CD1
Molecular Formula:
C13H12ClNS
Molecular Weight:
249.7591
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Product Description
Catalog Number:
AG002CD1
Chemical Name:
Benzenamine, 3-chloro-2-[(4-methylphenyl)thio]-
CAS Number:
199803-23-1
Molecular Formula:
C13H12ClNS
Molecular Weight:
249.7591
MDL Number:
MFCD00126509
IUPAC Name:
3-chloro-2-(4-methylphenyl)sulfanylaniline
InChI:
InChI=1S/C13H12ClNS/c1-9-5-7-10(8-6-9)16-13-11(14)3-2-4-12(13)15/h2-8H,15H2,1H3
InChI Key:
SNUKATAODXKQMW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1c(N)cccc1Cl
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.756g/mol
Monoisotopic Mass:
249.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties