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1443340-05-3 | 3-[(Di-iso-propylamino)methyl]thiophenol
CAS No: 1443340-05-3 Catalog No: AG01FC2D MDL No:
Product Description
Catalog Number:
AG01FC2D
Chemical Name:
3-[(Di-iso-propylamino)methyl]thiophenol
CAS Number:
1443340-05-3
Molecular Formula:
C13H21NS
Molecular Weight:
223.3775
IUPAC Name:
3-[[di(propan-2-yl)amino]methyl]benzenethiol
InChI:
InChI=1S/C13H21NS/c1-10(2)14(11(3)4)9-12-6-5-7-13(15)8-12/h5-8,10-11,15H,9H2,1-4H3
InChI Key:
DNVXXACQTUBSCP-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)CN(C(C)C)C(C)C
Properties
Complexity:
171
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:
4
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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