Name: Name:6,6'-Dithiodinicotinic acid
Brand: Angene
SKU: AG001OTE
Rating: 90 (10 reviews)

6,6'-Dithiodinicotinic acid

CAS No.:

15658-35-2

Catalog Number:

AG001OTE

Molecular Formula:

C12H8N2O4S2

Molecular Weight:

308.3329

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>98.0%(HPLC)

1 week

United States

$213

- +

25g

>98.0%(HPLC)

1 week

United States

$646

- +

Product Description

Catalog Number:

AG001OTE

Chemical Name:

6,6'-Dithiodinicotinic acid

CAS Number:

15658-35-2

Molecular Formula:

C12H8N2O4S2

Molecular Weight:

308.3329

MDL Number:

MFCD00006454

IUPAC Name:

6-[(5-carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic acid

InChI:

InChI=1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)

InChI Key:

GSASOFRDSIKDSN-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(nc1)SSc1ccc(cn1)C(=O)O

EC Number:

239-729-6

NSC Number:

147758

Properties

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.326g/mol

Monoisotopic Mass:

307.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

151A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
A structural paradigm for 3-periodic semiregular (4(6).6(9))-hxg net with high-symmetry hexagonal geometry, constructed from the linear [Cd2NaO6(H2O)6] SBUs and a flexible 6,6'-dithiodinicotinate linker.	Chemical communications (Cambridge, England) 20120804
Evaluation of 6,6'-dithionicotinic acid as alternative chromogen in a modified Ellman method--comparison in various species.	Toxicology mechanisms and methods 20110901
Exploration of the polar microenvironment around the reactive cysteine in rabbit muscle creatine kinase.	International journal of biological macromolecules 20071001
Identification of some novel AHAS inhibitors via molecular docking and virtual screening approach.	Bioorganic & medicinal chemistry 20070101
Inactivation of the human papillomavirus-16 E6 oncoprotein by organic disulfides.	Bioorganic & medicinal chemistry 20001101

Properties