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1443340-69-9 | 2-[(N-n-Butylmethylamino)methyl]thiophenol
CAS No: 1443340-69-9 Catalog No: AG01FBC3 MDL No:
Product Description
Catalog Number:
AG01FBC3
Chemical Name:
2-[(N-n-Butylmethylamino)methyl]thiophenol
CAS Number:
1443340-69-9
Molecular Formula:
C12H19NS
Molecular Weight:
209.3510
IUPAC Name:
2-[[butyl(methyl)amino]methyl]benzenethiol
InChI:
InChI=1S/C12H19NS/c1-3-4-9-13(2)10-11-7-5-6-8-12(11)14/h5-8,14H,3-4,9-10H2,1-2H3
InChI Key:
HBLNETKVSJBQGO-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1ccccc1S)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.124g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.351g/mol
Monoisotopic Mass:
209.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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