AG005P8U

68617-64-1 | 3-(PYRIDIN-2-YLDITHIO)PROPANOIC ACID

AG005P8U

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CAS Number	68617-64-1
Catalog Number	AG005P8U(AGN-PC-00GJKZ)
Chemical Name	3-(PYRIDIN-2-YLDITHIO)PROPANOIC ACID
IUPAC Name	3-(pyridin-2-yldisulfanyl)propanoic acid
InChI	InChI=1S/C8H9NO2S2/c10-8(11)4-6-12-13-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,10,11)
InChI Key	DJBRKGZFUXKLKO-UHFFFAOYSA-N
MDL Number	MFCD18252554
Molecular Formula	C8H9NO2S2
Molecular Weight	215.2926
SMILES	N1=C(C=CC=C1)SSCCC(=O)O
Synonyms	68617-64-1, 3-(2-Pyridyldithio)propanoic acid, SPDP acid, 3-(PYRIDIN-2-YLDISULFANYL)PROPANOIC ACID, 3-(PYRIDIN-2-YLDITHIO)PROPANOIC ACID, 3-(2-Pyridinyldithio)propanoic Acid, 3-(2-pyridyldithio)propionic acid, 3-(Pyridin-2-yldisulfanyl)propionic acid, 3-[(Pyridin-2-yl)disulfanyl]propanoic acid, SCHEMBL98030, CTK5C8263, DTXSID30473147, DJBRKGZFUXKLKO-UHFFFAOYSA-N, 2-carboxyethyl-2-pyridyldisulphide, 2-Carboxyethyl 2-Pyridyl Disulfide, MFCD18252554, ZINC13547081, AKOS027338244, Propanoic acid, 3-(2-pyridinyldithio)-, AS-49326, BP-23663, SC-95019, 3-(Pyrid-2-Yldisulphanyl)-Propionic Acid, 3-(pyridine-2-yldisulfanyl)propanoic acid, TX-010900, FT-0674213, 3-(2-Pyridyldithio)propionic acid-HCl (PDPA-HCl), 3-pyridin-2-yldisulfanylpropanoic Acid, CID11806088,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.007g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.285g/mol
Monoisotopic Mass	215.007g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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