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1443313-99-2 | 4-[(Di-n-butylamino)methyl]thiophenol
CAS No: 1443313-99-2 Catalog No: AG01FD53 MDL No:
Product Description
Catalog Number:
AG01FD53
Chemical Name:
4-[(Di-n-butylamino)methyl]thiophenol
CAS Number:
1443313-99-2
Molecular Formula:
C15H25NS
Molecular Weight:
251.4307
IUPAC Name:
4-[(dibutylamino)methyl]benzenethiol
InChI:
InChI=1S/C15H25NS/c1-3-5-11-16(12-6-4-2)13-14-7-9-15(17)10-8-14/h7-10,17H,3-6,11-13H2,1-2H3
InChI Key:
XQHBMZFYTOQEJQ-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1ccc(cc1)S)CCCC
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.171g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.432g/mol
Monoisotopic Mass:
251.171g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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