Name: Name:3-Furancarbonitrile,2-amino-4,5-di-2-thienyl-
Brand: Angene
SKU: AG005TXN
Rating: 90 (10 reviews)

3-Furancarbonitrile,2-amino-4,5-di-2-thienyl-

CAS No.:

75861-31-3

Catalog Number:

AG005TXN

Molecular Formula:

C13H8N2OS2

Molecular Weight:

272.3454

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Purity

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Product Description

Catalog Number:

AG005TXN

Chemical Name:

3-Furancarbonitrile,2-amino-4,5-di-2-thienyl-

CAS Number:

75861-31-3

Molecular Formula:

C13H8N2OS2

Molecular Weight:

272.3454

MDL Number:

MFCD03966895

IUPAC Name:

2-amino-4,5-dithiophen-2-ylfuran-3-carbonitrile

InChI:

InChI=1S/C13H8N2OS2/c14-7-8-11(9-3-1-5-17-9)12(16-13(8)15)10-4-2-6-18-10/h1-6H,15H2

InChI Key:

OXIDBDVBRGDPNQ-UHFFFAOYSA-N

SMILES:

N#Cc1c(N)oc(c1c1cccs1)c1cccs1

Properties

Complexity:

356

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.34g/mol

Monoisotopic Mass:

272.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

119A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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