Home Halogens 2-chloro-5-(methanesulfinylmethyl)aniline

2-chloro-5-(methanesulfinylmethyl)aniline

CAS No.:
1247504-17-1
Catalog Number:
AG01AJ96
Molecular Formula:
C8H10ClNOS
Molecular Weight:
203.6891
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Product Description
Catalog Number:
AG01AJ96
Chemical Name:
2-chloro-5-(methanesulfinylmethyl)aniline
CAS Number:
1247504-17-1
Molecular Formula:
C8H10ClNOS
Molecular Weight:
203.6891
MDL Number:
MFCD14613630
IUPAC Name:
2-chloro-5-(methylsulfinylmethyl)aniline
InChI:
InChI=1S/C8H10ClNOS/c1-12(11)5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3
InChI Key:
PAFVCKQHHQUIBA-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1ccc(c(c1)N)Cl
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.684g/mol
Monoisotopic Mass:
203.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties