Home Halogens 4-chloro-3-[(methylsulfanyl)methyl]aniline

4-chloro-3-[(methylsulfanyl)methyl]aniline

CAS No.:
1178038-94-2
Catalog Number:
AG01AJGA
Molecular Formula:
C8H10ClNS
Molecular Weight:
187.6897
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Product Description
Catalog Number:
AG01AJGA
Chemical Name:
4-chloro-3-[(methylsulfanyl)methyl]aniline
CAS Number:
1178038-94-2
Molecular Formula:
C8H10ClNS
Molecular Weight:
187.6897
MDL Number:
MFCD12779576
IUPAC Name:
4-chloro-3-(methylsulfanylmethyl)aniline
InChI:
InChI=1S/C8H10ClNS/c1-11-5-6-4-7(10)2-3-8(6)9/h2-4H,5,10H2,1H3
InChI Key:
JOFQKJUMJKHFMD-UHFFFAOYSA-N
SMILES:
CSCc1cc(N)ccc1Cl
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:
2.3  
Properties