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1443355-72-3 | 2-[(Di-n-propylamino)methyl]thiophenol
CAS No: 1443355-72-3 Catalog No: AG01FCSI MDL No:
Product Description
Catalog Number:
AG01FCSI
Chemical Name:
2-[(Di-n-propylamino)methyl]thiophenol
CAS Number:
1443355-72-3
Molecular Formula:
C13H21NS
Molecular Weight:
223.3775
IUPAC Name:
2-[(dipropylamino)methyl]benzenethiol
InChI:
InChI=1S/C13H21NS/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h5-8,15H,3-4,9-11H2,1-2H3
InChI Key:
GPVMWNXROUDOHV-UHFFFAOYSA-N
SMILES:
CCCN(Cc1ccccc1S)CCC
Properties
Complexity:
155
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:
3.7
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