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23417-29-0 | 6-METHYL-1,3-BENZOXAZOLE-2-THIOL
CAS No: 23417-29-0 Catalog No: AG00BJS3 MDL No:MFCD00087075
Product Description
Catalog Number:
AG00BJS3
Chemical Name:
6-METHYL-1,3-BENZOXAZOLE-2-THIOL
CAS Number:
23417-29-0
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00087075
IUPAC Name:
6-methyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C8H7NOS/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H,9,11)
InChI Key:
NUMDWMDMUXZMHA-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)oc(n2)S
NSC Number:
332173
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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