Home Halogens 4-chloro-3-(methylsulfanyl)aniline

4-chloro-3-(methylsulfanyl)aniline

CAS No.:
13442-44-9
Catalog Number:
AG01C2SP
Molecular Formula:
C7H8ClNS
Molecular Weight:
173.6631
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Product Description
Catalog Number:
AG01C2SP
Chemical Name:
4-chloro-3-(methylsulfanyl)aniline
CAS Number:
13442-44-9
Molecular Formula:
C7H8ClNS
Molecular Weight:
173.6631
MDL Number:
MFCD20699656
IUPAC Name:
4-chloro-3-methylsulfanylaniline
InChI:
InChI=1S/C7H8ClNS/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
InChI Key:
HHCNLVDSVIDHKJ-UHFFFAOYSA-N
SMILES:
CSc1cc(N)ccc1Cl
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.007g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.658g/mol
Monoisotopic Mass:
173.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties