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MAC13772

CAT: 0931-T11933-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T11933-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4871-40-3
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Purity
0.9872
Bioactivity
MAC13772 is a potent inhibitor of the enzyme BioA with an IC50 of 250 nM, thereby inhibiting biotin biosynthesis and exhibiting antibacterial activity.
Smiles
NNC(=O)CSc1ccccc1[N+]([O-])=O
Molecular Formula
C8H9N3O3S
Molecular Weight
227.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(2-Nitrophenyl)thio]ethanohydrazide
CAS Number4871-40-3
PubChem CID2807216
IUPAC Name2-(2-nitrophenyl)sulfanylacetohydrazide
Molecular FormulaC8H9N3O3S
Molecular Weight227.24
XLogP0.9
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NN
InChI
InChI=1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKey
CZXFCCXLFQCYBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-Nitrophenyl)thio]ethanohydrazide
CAS: 4871-40-3
CID: 2807216
Formula: C8H9N3O3S
MW: 227.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.24
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass227.03646233
Monoisotopic Mass227.03646233
Topological Polar Surface Area126 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5753448MAC13772
A18788-50MAC13772 50mg
A18788-25MAC13772 25mg
A18788-10MAC13772 10mg
A18788-100MAC13772 100mg
A18788-5MAC13772 5mg
A18788-10mM-DMAC13772 10mM * 1mL in DMSO

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