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86971-24-6 | Benzoxazole, 2-[(phenylmethyl)thio]-
CAS No: 86971-24-6 Catalog No: AG004O3G MDL No:
Product Description
Catalog Number:
AG004O3G
Chemical Name:
Benzoxazole, 2-[(phenylmethyl)thio]-
CAS Number:
86971-24-6
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
2-benzylsulfanyl-1,3-benzoxazole
InChI:
InChI=1S/C14H11NOS/c1-2-6-11(7-3-1)10-17-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2
InChI Key:
CGOXJHMQMPSWCL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nc2c(o1)cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents. | European journal of medicinal chemistry 20090501 |
| Heterocyclic benzazole derivatives with antimycobacterial in vitro activity. | Bioorganic & medicinal chemistry letters 20021118 |
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