Home Other Building Blocks 3-[(cyclohexylsulfanyl)methyl]aniline

3-[(cyclohexylsulfanyl)methyl]aniline

CAS No.:
1184225-27-1
Catalog Number:
AG01AJ19
Molecular Formula:
C13H19NS
Molecular Weight:
221.3617
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Product Description
Catalog Number:
AG01AJ19
Chemical Name:
3-[(cyclohexylsulfanyl)methyl]aniline
CAS Number:
1184225-27-1
Molecular Formula:
C13H19NS
Molecular Weight:
221.3617
MDL Number:
MFCD12764210
IUPAC Name:
3-(cyclohexylsulfanylmethyl)aniline
InChI:
InChI=1S/C13H19NS/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10,14H2
InChI Key:
ZYQVCISETWBDFB-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CSC1CCCCC1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.124g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.362g/mol
Monoisotopic Mass:
221.124g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties