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79531-82-1 | THIOPHENE-2-ALDEHYDE SEMICARBAZONE
CAS No: 79531-82-1 Catalog No: AG00588Z MDL No:
Product Description
Catalog Number:
AG00588Z
Chemical Name:
THIOPHENE-2-ALDEHYDE SEMICARBAZONE
CAS Number:
79531-82-1
Molecular Formula:
C6H7N3OS
Molecular Weight:
169.2043
IUPAC Name:
[(E)-thiophen-2-ylmethylideneamino]urea
InChI:
InChI=1S/C6H7N3OS/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
InChI Key:
WAZNQENKQABSNN-XBXARRHUSA-N
SMILES:
NC(=O)NN=Cc1cccs1
NSC Number:
27189
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
169.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.202g/mol
Monoisotopic Mass:
169.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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