6,6'-Dithiodinicotinic acid

C₁₂H₈N₂O₄S₂CAS 15658-35-2308.33 g/mol

Open in Covalent MOL file

Carboxylic acid Disulfide

Properties

Molecular formula: C₁₂H₈N₂O₄S₂
Molar mass: 308.33 g/mol
Exact mass: 307.9925 Da
logP: 2.67Crippen estimate
Polar surface area: 100.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15658-35-2

SMILES

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

InChIKey

GSASOFRDSIKDSN-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

6,6′-Dithiodinicotinic acid
3-Pyridinecarboxylic acid, 6,6′-dithiobis-
Nicotinic acid, 6,6′-dithiodi-
6,6′-Dithiobis[3-pyridinecarboxylic acid]
CPDS
Carboxypyridine disulfide
6,6′-Dithionicotinic acid
NSC 147758

Work with 6,6'-Dithiodinicotinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-863 % similar 2,5-Pyridinedicarboxylic acid100-26-561 % similar 6-Fluoronicotinic acid403-45-259 % similar 6-Hydroxynicotinic acid5006-66-659 % similar 6-Methylpyridine-3-carboxylic acid3222-47-758 % similar 6-Chloronicotinic acid5326-23-858 % similar 6-Bromonicotinic acid6311-35-958 % similar 6-Trifluoromethylnicotinic acid231291-22-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bis(4-nitrophenyl) disulfide100-32-3 Bis(2-nitrophenyl) disulfide1155-00-6 Bis(3-nitrophenyl) disulfide537-91-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook