6,8-Dimercaptooctanoic Acid

CAT: 0127-OR1011972-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1011972-01Size:100 mg

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CAS Number

462-20-4

MDL Number

MFCD00166974

Purity

97%

Smiles

C(CCC(=O)O)CC(CCS)S

Chemical Information

Dihydrolipoic Acid

Dihydrolipoic acid is a thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. It has a role as an antioxidant, a neuroprotective agent and a human metabolite. It is functionally related to an octanoic acid. It is a conjugate acid of a dihydrolipoate.

CAS Number	462-20-4
PubChem CID	421
IUPAC Name	6,8-bis(sulfanyl)octanoic acid
Molecular Formula	C8H16O2S2
Molecular Weight	208.3
XLogP	1.8
Topological Polar Surface Area	39.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	128

SMILES

C(CCC(=O)O)CC(CCS)S

InChI

InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)

InChIKey

IZFHEQBZOYJLPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 462-20-4

CID: 421

Formula: C8H16O2S2

MW: 208.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	208.3
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	208.05917210
Monoisotopic Mass	208.05917210
Topological Polar Surface Area	39.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	128
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
AR-T01859-01	6,8-dimercaptooctanoic acid
TRC-D477413-500MG	(R)-6,8-Dimercaptooctanoic Acid
AR-T01865-01	(R) -6,8-dimercaptooctanoic acid
TRC58426-01	8-Methoxyquinoline-6-carboxylic acid
RID24662-01	6-Methoxyisoquinoline-8-carboxylic acid
RGB63221-01	8-Bromoquinoline-6-carboxylic acid
BMB21776-01	8-Methylquinoline-6-carboxylic acid
ICC64863-01	8-Aminoquinoline-6-carboxylic acid
GCA53597	6-Oxo-8-chlorooctanoic acid
TN3291	8'-Oxo-6-hydroxydihydrophaseic acid

6,8-Dimercaptooctanoic Acid

Chemical Information

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