Name: Name:3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-2-thioxo-
Brand: Angene
SKU: AG007V0Y
Rating: 90 (10 reviews)

3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-2-thioxo-

CAS No.:

111971-56-3

Catalog Number:

AG007V0Y

Molecular Formula:

C7H4N4S

Molecular Weight:

176.1985

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Product Description

Catalog Number:

AG007V0Y

Chemical Name:

3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-2-thioxo-

CAS Number:

111971-56-3

Molecular Formula:

C7H4N4S

Molecular Weight:

176.1985

MDL Number:

MFCD06382875

IUPAC Name:

2-amino-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

InChI:

InChI=1S/C7H4N4S/c8-2-4-1-5(3-9)7(12)11-6(4)10/h1H,(H3,10,11,12)

InChI Key:

AOLHMHYTLZBBKT-UHFFFAOYSA-N

SMILES:

N#Cc1cc(C#N)c(=S)[nH]c1N

Properties

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.197g/mol

Monoisotopic Mass:

176.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

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

Properties