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13080-21-2 | 2(1H)-Quinoxalinethione, 3-hydrazinyl-
CAS No: 13080-21-2 Catalog No: AG000UZ1 MDL No:MFCD00457014
Product Description
Catalog Number:
AG000UZ1
Chemical Name:
2(1H)-Quinoxalinethione, 3-hydrazinyl-
CAS Number:
13080-21-2
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
MDL Number:
MFCD00457014
IUPAC Name:
3-hydrazinyl-1H-quinoxaline-2-thione
InChI:
InChI=1S/C8H8N4S/c9-12-7-8(13)11-6-4-2-1-3-5(6)10-7/h1-4H,9H2,(H,10,12)(H,11,13)
InChI Key:
TVYAHCDRRICQJM-UHFFFAOYSA-N
SMILES:
NNc1nc2ccccc2[nH]c1=S
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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