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13673-63-7 | 3-Methylbenzo[d]oxazole-2(3H);-thione
CAS No: 13673-63-7 Catalog No: AG0070JV MDL No:MFCD00459943
Product Description
Catalog Number:
AG0070JV
Chemical Name:
3-Methylbenzo[d]oxazole-2(3H);-thione
CAS Number:
13673-63-7
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00459943
IUPAC Name:
3-methyl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3
InChI Key:
VMOIPIVQHVFUFO-UHFFFAOYSA-N
SMILES:
Cn1c(=S)oc2c1cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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