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

3-[(cyclohexanesulfinyl)methyl]aniline

CAS No.:
1247701-03-6
Catalog Number:
AG01AJ1E
Molecular Formula:
C13H19NOS
Molecular Weight:
237.3611
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Product Description
Catalog Number:
AG01AJ1E
Chemical Name:
3-[(cyclohexanesulfinyl)methyl]aniline
CAS Number:
1247701-03-6
Molecular Formula:
C13H19NOS
Molecular Weight:
237.3611
MDL Number:
MFCD14620138
IUPAC Name:
3-(cyclohexylsulfinylmethyl)aniline
InChI:
InChI=1S/C13H19NOS/c14-12-6-4-5-11(9-12)10-16(15)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10,14H2
InChI Key:
WPODKEILCJOICG-UHFFFAOYSA-N
SMILES:
O=S(C1CCCCC1)Cc1cccc(c1)N
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.119g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.361g/mol
Monoisotopic Mass:
237.119g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties