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54705-16-7 | 2-(Methylsulphanyl)benzamide
CAS No: 54705-16-7 Catalog No: AG01FGSK MDL No:
Product Description
Catalog Number:
AG01FGSK
Chemical Name:
2-(Methylsulphanyl)benzamide
CAS Number:
54705-16-7
IUPAC Name:
2-methylsulfanylbenzamide
InChI:
InChI=1S/C8H9NOS/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H2,9,10)
InChI Key:
HSOQDPYTTOKEHI-UHFFFAOYSA-N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 2-(Methyl-sulfin-yl)benzamide. | Acta crystallographica. Section E, Structure reports online 20101201 |
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