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1443348-42-2 | 3-[(N-n-Butylmethylamino)methyl]thiophenol
CAS No: 1443348-42-2 Catalog No: AG01FBCM MDL No:
Product Description
Catalog Number:
AG01FBCM
Chemical Name:
3-[(N-n-Butylmethylamino)methyl]thiophenol
CAS Number:
1443348-42-2
Molecular Formula:
C12H19NS
Molecular Weight:
209.3510
IUPAC Name:
3-[[butyl(methyl)amino]methyl]benzenethiol
InChI:
InChI=1S/C12H19NS/c1-3-4-8-13(2)10-11-6-5-7-12(14)9-11/h5-7,9,14H,3-4,8,10H2,1-2H3
InChI Key:
PBIUUVITJHGEKR-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1cccc(c1)S)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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