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1443336-17-1

1443336-17-1 | 3-[(N-Methylcyclohexylamino)methyl]thiophenol

CAS No: 1443336-17-1 Catalog No: AG01FAEE MDL No:

Product Description

Catalog Number:
AG01FAEE
Chemical Name:
3-[(N-Methylcyclohexylamino)methyl]thiophenol
CAS Number:
1443336-17-1
Molecular Formula:
C14H21NS
Molecular Weight:
235.3882
IUPAC Name:
3-[[cyclohexyl(methyl)amino]methyl]benzenethiol
InChI:
InChI=1S/C14H21NS/c1-15(13-7-3-2-4-8-13)11-12-6-5-9-14(16)10-12/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3
InChI Key:
LOCGXCQZHQFAKF-UHFFFAOYSA-N
SMILES:
CN(C1CCCCC1)Cc1cccc(c1)S

Properties

Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.139g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.389g/mol
Monoisotopic Mass:
235.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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