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

3-chloro-4-(phenylsulfanyl)aniline

CAS No.:
32631-26-8
Catalog Number:
AG01A8S9
Molecular Formula:
C12H10ClNS
Molecular Weight:
235.7325
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Product Description
Catalog Number:
AG01A8S9
Chemical Name:
3-chloro-4-(phenylsulfanyl)aniline
CAS Number:
32631-26-8
Molecular Formula:
C12H10ClNS
Molecular Weight:
235.7325
MDL Number:
MFCD11132281
IUPAC Name:
3-chloro-4-phenylsulfanylaniline
InChI:
InChI=1S/C12H10ClNS/c13-11-8-9(14)6-7-12(11)15-10-4-2-1-3-5-10/h1-8H,14H2
InChI Key:
CKRNYBQUMRCICU-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Sc1ccccc1
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.022g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.729g/mol
Monoisotopic Mass:
235.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties