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1020-40-2 | Benzamide, N-(2-mercaptophenyl)-
CAS No: 1020-40-2 Catalog No: AG0006AA MDL No:
Product Description
Catalog Number:
AG0006AA
Chemical Name:
Benzamide, N-(2-mercaptophenyl)-
CAS Number:
1020-40-2
Molecular Formula:
C13H11NOS
Molecular Weight:
229.2975
IUPAC Name:
N-(2-sulfanylphenyl)benzamide
InChI:
InChI=1S/C13H11NOS/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16/h1-9,16H,(H,14,15)
InChI Key:
YGJHOWOEBFBOSF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccccc1S
UNII:
40QII77X49
NSC Number:
57956
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.297g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Mining the NCI antiviral compounds for HIV-1 integrase inhibitors. | Bioorganic & medicinal chemistry 20060601 |
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