Niridazole

CAT: 0127-BUP07360-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07360-01Size:5 mg

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CAS Number

61-57-4

Synonyms

BA32644, BA-32644, Ambilhar, BA 32644

Purity

=95%

Smiles

O=C1N(C=2SC(N(=O)=O)=CN2)CCN1

Chemical Information

Niridazole

Niridazole can cause cancer according to an independent committee of scientific and health experts.

CAS Number	61-57-4
PubChem CID	6093
IUPAC Name	1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Molecular Formula	C6H6N4O3S
Molecular Weight	214.20
XLogP	0.9
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	268

SMILES

C1CN(C(=O)N1)C2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)

InChIKey

RDXLYGJSWZYTFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61-57-4

CID: 6093

Formula: C6H6N4O3S

MW: 214.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.20
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	214.01606124
Monoisotopic Mass	214.01606124
Topological Polar Surface Area	119 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5777867	Niridazole