3- (2-pyridyldithio) propionic acid

CAT: 0127-OR97191-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR97191-01Size:100 mg

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CAS Number

68617-64-1

Synonyms

3- (Pyridin-2-yldisulfanyl) propanoic acid

MDL Number

MFCD18252554

Purity

97%

Smiles

OC(=O)CCSSC1=CC=CC=N1

Storage Conditions

Store at 2-8°C

Chemical Information

3-(2-Pyridyldithio)propionic Acid

CAS Number	68617-64-1
PubChem CID	11806088
IUPAC Name	3-(pyridin-2-yldisulfanyl)propanoic acid
Molecular Formula	C8H9NO2S2
Molecular Weight	215.3
XLogP	1.2
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	166

SMILES

C1=CC=NC(=C1)SSCCC(=O)O

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)

InChIKey

DJBRKGZFUXKLKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68617-64-1

CID: 11806088

Formula: C8H9NO2S2

MW: 215.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.3
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	215.00747088
Monoisotopic Mass	215.00747088
Topological Polar Surface Area	101 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1006884-01	(2-pyridyldithio) -PEG4 acid
OR964201-01	3- (2-Thiazolyl) propionic acid
OR470097	3- (2-Nitrophenoxy) propionic acid
OR1021337	3- (2-Ethoxyphenyl) propionic acid
OR75605-01	2- (3-Chlorophenoxy) propionic acid
OR470104	3- (2-Methylphenoxy) propionic acid
OR1021340	3- (2-Phenoxyphenyl) propionic acid
OR470106	3- (2-Carbamoylphenoxy) propionic acid
OR018649	3- (2-Chloroanilino) propionic acid
OR909100-01	3- (2-Methoxyphenyl) propionic acid

Catalog	Name
4029094.025	3-(2-Pyridyldithio)-propionic acid-OSu
sc-472063	3- (2-Pyridyldithio) propionic acid hydrazide
4029094.1000	3- (2-Pyridyldithio) -propionic acid-OSu
288065-01	3- (2-Pyridyldithio) propionic acid hydrazide hydrochloride
sc-352272	3- (2-Pyridyldithio) propionic acid hydrazine hydrochloride
sc-209453	3- (2-Pyridyldithio) propionic Acid N-Succinimidyl Ester
TRC-P996850-500MG	3-(2-Pyridyldithio)propionic Acid N-Succinimidyl Ester
MBS6086294-01	3-(2-Pyridyldithio)propionic Acid N-Succinimidyl Ester (SPDP)
P9517-88	3- (2-Pyridyldithio) propionic Acid N-Succinimidyl Ester (SPDP)
231235-01	3- (2-Pyridyldithio) propionic acid hydrazide hydrochloride 98+% (NMR)