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14052-79-0 | 5-Nitro-2-furaldehyde 4,4-dimethyl thiosemicarbazone
CAS No: 14052-79-0 Catalog No: AG00AJOI MDL No:
Product Description
Catalog Number:
AG00AJOI
Chemical Name:
5-Nitro-2-furaldehyde 4,4-dimethyl thiosemicarbazone
CAS Number:
14052-79-0
IUPAC Name:
1,1-dimethyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
InChI:
InChI=1S/C8H10N4O3S/c1-11(2)8(16)10-9-5-6-3-4-7(15-6)12(13)14/h3-5H,1-2H3,(H,10,16)/b9-5+
InChI Key:
CWSFSUPASHHZKE-WEVVVXLNSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
242.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.253g/mol
Monoisotopic Mass:
242.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Antibacterial nitrofuran derivatives. I. 5-nitro-2-furaldehyde semicarbazones and thiosemicarbazones. | Journal of medicinal chemistry 19670701 |
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