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1443303-89-6 | 2-[(N-Methylcyclohexylamino)methyl]thiophenol
CAS No: 1443303-89-6 Catalog No: AG01FAD0 MDL No:
Product Description
Catalog Number:
AG01FAD0
Chemical Name:
2-[(N-Methylcyclohexylamino)methyl]thiophenol
CAS Number:
1443303-89-6
Molecular Formula:
C14H21NS
Molecular Weight:
235.3882
IUPAC Name:
2-[[cyclohexyl(methyl)amino]methyl]benzenethiol
InChI:
InChI=1S/C14H21NS/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16/h5-7,10,13,16H,2-4,8-9,11H2,1H3
InChI Key:
AVVVLJDNBUSXCM-UHFFFAOYSA-N
SMILES:
CN(C1CCCCC1)Cc1ccccc1S
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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