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2976-71-8 | Benzenamine, 4-[(phenylmethyl)thio]-
CAS No: 2976-71-8 Catalog No: AG002ZBR MDL No:
Product Description
Catalog Number:
AG002ZBR
Chemical Name:
Benzenamine, 4-[(phenylmethyl)thio]-
CAS Number:
2976-71-8
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
4-benzylsulfanylaniline
InChI:
InChI=1S/C13H13NS/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2
InChI Key:
ARKMPBRPOSHHJR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)SCc1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| The unexpected desulfurization of 4-aminothiophenols. | The Journal of organic chemistry 20070330 |
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