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1443348-53-5 | 4-[(Diethylamino)methyl]thiophenol
CAS No: 1443348-53-5 Catalog No: AG01FE88 MDL No:
Product Description
Catalog Number:
AG01FE88
Chemical Name:
4-[(Diethylamino)methyl]thiophenol
CAS Number:
1443348-53-5
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
IUPAC Name:
4-(diethylaminomethyl)benzenethiol
InChI:
InChI=1S/C11H17NS/c1-3-12(4-2)9-10-5-7-11(13)8-6-10/h5-8,13H,3-4,9H2,1-2H3
InChI Key:
QUIBAGYBGLIRMF-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)S)CC
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.108g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.324g/mol
Monoisotopic Mass:
195.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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