AG001OTE

15658-35-2 | 3-Pyridinecarboxylic acid, 6,6'-dithiobis-

AG001OTE

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CAS Number	15658-35-2
Catalog Number	AG001OTE(AGN-PC-0JLVGC)
Chemical Name	3-Pyridinecarboxylic acid, 6,6'-dithiobis-
EC Number	239-729-6
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
MDL Number	MFCD00006454
Molecular Formula	C12H8N2O4S2
Molecular Weight	308.3329
NSC Number	147758
SMILES	O=C(O)C1=CN=C(SSC2=NC=C(C=C2)C(O)=O)C=C1
Synonyms	6,6'-dithiodinicotinic acid, 6,6'-dithiodinicotinic acid, sodium salt, carboxypyridine disulfide, 6,6'-Dithiodinicotinic acid, 15658-35-2, CPDS, Carboxypyridine disulfide, 6,6'-Dithionicotinic acid, 6,6'-Disulfanediyldinicotinic acid, NSC147758, Nicotinic acid, 6,6'-dithiodi-, 3-Pyridinecarboxylic acid, 6,6'-dithiobis-, EINECS 239-729-6, NSC 147758, BRN 0426589, 6,6'-Dithiobis-3-pyridinecarboxylic acid, AI3-62508, NSC-147758, C12H8N2O4S2, 5-carboxy-pyridin-2-yl disulphide, ACMC-1C8SX, 6,6-Dithiodinicotinic acid, AC1L38OU, 6,6'-DithiodinicotinicAcid, NCIStruc1_001825, NCIStruc2_001273, 6, 6'-Dithionicotinic acid, 6, 6-Dithiodinicotinic acid, Nicotinic acid,6'-dithiodi-, 5-22-05-00117 (Beilstein Handbook Reference), SCHEMBL147705, CHEMBL1161936, CTK0H8314, DTXSID40166098, GSASOFRDSIKDSN-UHFFFAOYSA-N, KS-000016CZ, ZINC1729389, ZX-AT023597, ANW-21631, CCG-37163, MFCD00006454, NCGC00014393, NCI147758, AKOS015892318, 3-Pyridinecarboxylic acid,6'-dithiobis-, NCGC00014393-02, NCGC00097500-01, BP-30136, CC-22321, NCI60_001011, Nicotinic acid, 6,6'-dithiodi- (8CI), 3-Pyridinecarboxylicacid, 6,6'-dithiobis-, 6,6'-Dithiobis(3-pyridinecarboxylic Acid), DB-043326, LS-130933, TR-021325, D2564, FT-0637256, 6-[(5-carboxy-2-pyridyl)dithio]nicotinic acid, C-19143, 6,6'-Dithiodinicotinic acid, technical grade, 85%, I02-6248, J-009318, 6-[(5-carboxy-2-pyridyl)disulfanyl]pyridine-3-carboxylic acid, 6-[(5-carboxypyridin-2-yl)disulfanyl]pyridine-3-carboxylic acid, 6,6/'-Dithiodinicotinic acid, CID85040, C12-H8-N2-O4-S2, 5-Bromo-N,N-diethylpyridine-3-sulfonamide, 62009-37-4,

Complexity	335
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.993g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	308.326g/mol
Monoisotopic Mass	307.993g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	151A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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