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Nifurtimox

CAT: 0572-TRC-N458800-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N458800-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23256-30-6
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC1CS(=O)(=O)CCN1\N=C\c2oc(cc2)[N+](=O)[O-]
Molecular Formula
C10 H13 N3 O5 S
Molecular Weight
287.29
InChI
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
Additionnal Information
IUPAC name: (E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Nifurtimox

Nifurtimox is a nitrofuran antibiotic.

CAS Number23256-30-6
PubChem CID6842999
IUPAC Name(E)-N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitrofuran-2-yl)methanimine
Molecular FormulaC10H13N3O5S
Molecular Weight287.29
XLogP1.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity467
SMILES
CC1CS(=O)(=O)CCN1/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+
InChIKey
ARFHIAQFJWUCFH-IZZDOVSWSA-N
Chemical Structure
2D Structure
2D structure of Nifurtimox
CAS: 23256-30-6
CID: 6842999
Formula: C10H13N3O5S
MW: 287.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.29
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass287.05759170
Monoisotopic Mass287.05759170
Topological Polar Surface Area117 Ų
Heavy Atom Count19
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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