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24793-31-5 | Ethanimidamide, 2-(2-benzothiazolylthio)-N-hydroxy-
CAS No: 24793-31-5 Catalog No: AG002PGB MDL No:
Product Description
Catalog Number:
AG002PGB
Chemical Name:
Ethanimidamide, 2-(2-benzothiazolylthio)-N-hydroxy-
CAS Number:
24793-31-5
Molecular Formula:
C9H9N3OS2
Molecular Weight:
239.3173
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-hydroxyethanimidamide
InChI:
InChI=1S/C9H9N3OS2/c10-8(12-13)5-14-9-11-6-3-1-2-4-7(6)15-9/h1-4,13H,5H2,(H2,10,12)
InChI Key:
TUFTUVARWUGGOA-UHFFFAOYSA-N
SMILES:
ONC(=N)CSc1nc2c(s1)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.311g/mol
Monoisotopic Mass:
239.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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