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1443346-40-4 | 2-[(Di-iso-butylamino)methyl]thiophenol
CAS No: 1443346-40-4 Catalog No: AG01FCEV MDL No:
Product Description
Catalog Number:
AG01FCEV
Chemical Name:
2-[(Di-iso-butylamino)methyl]thiophenol
CAS Number:
1443346-40-4
Molecular Formula:
C15H25NS
Molecular Weight:
251.4307
IUPAC Name:
2-[[bis(2-methylpropyl)amino]methyl]benzenethiol
InChI:
InChI=1S/C15H25NS/c1-12(2)9-16(10-13(3)4)11-14-7-5-6-8-15(14)17/h5-8,12-13,17H,9-11H2,1-4H3
InChI Key:
NCWQMNVLYWNIEQ-UHFFFAOYSA-N
SMILES:
CC(CN(Cc1ccccc1S)CC(C)C)C
Properties
Complexity:
193
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:
6
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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