Home Halogens 2-chloro-5-[(methylsulfanyl)methyl]aniline

2-chloro-5-[(methylsulfanyl)methyl]aniline

CAS No.:
1179294-51-9
Catalog Number:
AG01AJBQ
Molecular Formula:
C8H10ClNS
Molecular Weight:
187.6897
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Product Description
Catalog Number:
AG01AJBQ
Chemical Name:
2-chloro-5-[(methylsulfanyl)methyl]aniline
CAS Number:
1179294-51-9
Molecular Formula:
C8H10ClNS
Molecular Weight:
187.6897
MDL Number:
MFCD12823646
IUPAC Name:
2-chloro-5-(methylsulfanylmethyl)aniline
InChI:
InChI=1S/C8H10ClNS/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3
InChI Key:
NDOJWFPFRAPRIS-UHFFFAOYSA-N
SMILES:
CSCc1ccc(c(c1)N)Cl
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.685g/mol
Monoisotopic Mass:
187.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties