Name: 6,6'-DITHIODINICOTINIC ACID
SKU: 15658-35-2

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Basic Information

Molecular Structure:
CAS No.:	15658-35-2
Name:	6,6'-DITHIODINICOTINIC ACID

Formula:	C₁₂H₈N₂O₄S₂
Molecular Weight:	308.339
Synonyms:	Nicotinicacid, 6,6'-dithiodi- (8CI);6,6'-Dithiodinicotinic acid;6,6'-Dithionicotinicacid;CPDS;Carboxypyridine disulfide;NSC 147758;
EINECS:	239-729-6
Density:	1.66 g/cm³
Melting Point:	263-265 °C
Boiling Point:	584.2 °C at 760 mmHg
Flash Point:	307.1 °C
Appearance:	Tan powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	150.98000
LogP:	2.67240

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- China (Mainland)(17)
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Specification

The 3-Pyridinecarboxylicacid, 6,6'-dithiobis- with CAS registry number of 15658-35-2 is also known as 6,6'-Dithiodinicotinic acid. The IUPAC name is 6-[(5-Carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic acid. It belongs to product categories of Heterocyclic Compounds. Its EINECS registry number is 239-729-6. In addition, the formula is C₁₂H₈N₂O₄S₂ and the molecular weight is 308.33. This chemcial is a tan powder.

Physical properties about 3-Pyridinecarboxylicacid, 6,6'-dithiobis- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -3.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.753; (13)Molar Refractivity: 75.63 cm³; (14)Molar Volume: 185 cm³; (15)Surface Tension: 106.3 dyne/cm; (16)Density: 1.66 g/cm³; (17)Flash Point: 307.1 °C; (18)Enthalpy of Vaporization: 91.83 kJ/mol; (19)Boiling Point: 584.2 °C at 760 mmHg; (20)Vapour Pressure: 1.71E-14 mmHg at 25 °C.

Uses of 3-Pyridinecarboxylicacid, 6,6'-dithiobis-: it is used to produce 6-mercapto-nicotinic acid. The reaction occurs with reagent titanium(III) chloride, sodium citrate and solvents acetic acid, ethanol, H₂O with pH of 4.5 to 6.0. The yield is about 30%.

3-Pyridinecarboxylicacid, 6,6'-dithiobis- is used to produce 6-mercapto-nicotinic acid.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=NC=C1C(=O)O)SSC2=NC=C(C=C2)C(=O)O
2. 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)