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Merck
CN

D6307

6,6′-Dithiodinicotinic acid

~85%

Synonym(s):

Bis[3-Carboxypyridine] 6,6′-disulfide, Bis[3-carboxypyridine] 6,6′-disulfide

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About This Item

Empirical Formula (Hill Notation):
C12H8N2O4S2
CAS Number:
15658-35-2
Molecular Weight:
308.33
EC Number:
239-729-6
UNSPSC Code:
12352200
MDL number:
MFCD00006454

Key Documents

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InChI key

GSASOFRDSIKDSN-UHFFFAOYSA-N

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)

SMILES string

OC(=O)c1ccc(SSc2ccc(cn2)C(O)=O)nc1

assay

~85%

mp

263-265 °C (lit.)

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pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
106H3601
029H3694
020K3667

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Jian-Guo Wang et al.
Bioorganic & medicinal chemistry, 15(1), 374-380 (2006-10-20)
Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) catalyzes the first common step in branched-chain amino acid biosynthesis. This enzyme is an important target for the design of environmental-benign herbicides. Based on the crystal structure of AHAS/sulfonylurea complex, we have carried out computational

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