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1443328-87-7 | 3-[(N-Ethyl-n-butylamino)methyl]thiophenol
CAS No: 1443328-87-7 Catalog No: AG01FBBR MDL No:
Product Description
Catalog Number:
AG01FBBR
Chemical Name:
3-[(N-Ethyl-n-butylamino)methyl]thiophenol
CAS Number:
1443328-87-7
Molecular Formula:
C13H21NS
Molecular Weight:
223.3775
IUPAC Name:
3-[[butyl(ethyl)amino]methyl]benzenethiol
InChI:
InChI=1S/C13H21NS/c1-3-5-9-14(4-2)11-12-7-6-8-13(15)10-12/h6-8,10,15H,3-5,9,11H2,1-2H3
InChI Key:
KRGCKDDIJFPJGX-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1cccc(c1)S)CC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.139g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.378g/mol
Monoisotopic Mass:
223.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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