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1443348-37-5 | 3-[(Di-n-propylamino)methyl]thiophenol
CAS No: 1443348-37-5 Catalog No: AG01FCS1 MDL No:
Product Description
Catalog Number:
AG01FCS1
Chemical Name:
3-[(Di-n-propylamino)methyl]thiophenol
CAS Number:
1443348-37-5
Molecular Formula:
C13H21NS
Molecular Weight:
223.3775
IUPAC Name:
3-[(dipropylamino)methyl]benzenethiol
InChI:
InChI=1S/C13H21NS/c1-3-8-14(9-4-2)11-12-6-5-7-13(15)10-12/h5-7,10,15H,3-4,8-9,11H2,1-2H3
InChI Key:
HCIPABTVMONMSG-UHFFFAOYSA-N
SMILES:
CCCN(Cc1cccc(c1)S)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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