23256-30-6
Product Name:
nifurtimox
Formula:
C10H13N3O5S
Synonyms:
(±)-Nifurtimox;(RS)-3-methyl-N-[(1E)-(5-nitro-2-furyl)methylene]thiomorpholin-4-amine 1,1-dioxide;3-Methyl-4-(5′-nitrofurylidene-amino)-tetrahydro-4H-1,4-thiazine-1,1-dioxide; 4-((5-Nitrofurfurylidene)amino)-3-methylthiomorpholine 1,1-dioxide;BAY 2502;Thiomorpholine, 3-methyl-4-((5-nitrofurfurylidene)amino)-,1,1-dioxide
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CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 550.3±50.0 |
|---|---|
| Melting Point | 177-183 |
| LogP | -0.27 |
| LogS | 0.158 |
| Dissociation Constants | -1.01±0.40 |
COMPUTED DESCRIPTORS
| Molecular Weight | 287.29 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 287.05759170 g/mol |
| Monoisotopic Mass | 287.05759170 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 467 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nifurtimox is a nitrofuran antibiotic.