Name: Name:5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
Brand: Angene
SKU: AG004W85
Rating: 90 (10 reviews)

5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine

CAS No.:

833-47-6

Catalog Number:

AG004W85

Molecular Formula:

C8H6N4O2S

Molecular Weight:

222.2238

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Product Description

Catalog Number:

AG004W85

Chemical Name:

5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine

CAS Number:

833-47-6

Molecular Formula:

C8H6N4O2S

Molecular Weight:

222.2238

MDL Number:

MFCD00453655

IUPAC Name:

5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine

InChI:

InChI=1S/C8H6N4O2S/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)

InChI Key:

IQTFBFZCUYGFES-UHFFFAOYSA-N

SMILES:

Nc1nnc(s1)c1cccc(c1)[N+](=O)[O-]

NSC Number:

83130

Properties

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.222g/mol

Monoisotopic Mass:

222.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties