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6670-13-9 | 4,5-Diphenyloxazole-2(3H)-thione
CAS No: 6670-13-9 Catalog No: AG003KIL MDL No:MFCD00022414
Product Description
Catalog Number:
AG003KIL
Chemical Name:
4,5-Diphenyloxazole-2(3H)-thione
CAS Number:
6670-13-9
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
MDL Number:
MFCD00022414
IUPAC Name:
4,5-diphenyl-3H-1,3-oxazole-2-thione
InChI:
InChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChI Key:
NYQSTRUSYDZNHC-UHFFFAOYSA-N
SMILES:
S=c1oc(c([nH]1)c1ccccc1)c1ccccc1
EC Number:
229-707-4
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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