ChemicalBook--->CAS DataBase List--->1077-27-6

1077-27-6

1077-27-6 Structure

1077-27-6 Structure
IdentificationBack Directory
[Name]

5-[(3S)-Dithiolan-3-yl]pentanoic acid
[CAS]

1077-27-6
[Synonyms]

LIPOATE
S-Lipoic
S-LipoicAcid
L-THIOCTIC ACID
S(-)-a-Lipoic acid
(S)-(-)-Thioctic acid
(S)-6,8-Thioctic acid
S- LIPOICACID (L-LIPOIC ACID)
(S)-1,2-Dithiolane-3-valeric Acid
(S)-1,2-Dithiolane-3-pentanoic acid
5-[(3S)-dithiolan-3-yl]valeric acid
(S)-1,2-Dithiolane-3β-pentanoic acid
1,2-Dithiolane-3-pentanoic acid, (S)-
5-[(3s)-dithiolan-3-yl]pentanoic acid
(S)-5-(1,2-Dithiolan-3-yl)pentanoic acid
5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
1,2-Dithiolane-3-pentanoic acid, (3S)- (9CI)
[Molecular Formula]

C8H14O2S2
[MDL Number]

MFCD01863481
[MOL File]

1077-27-6.mol
[Molecular Weight]

206.33
Chemical PropertiesBack Directory
[Melting point ]

47 °C
[alpha ]

D23 -113° (c = 1.88 in benzene)
[Boiling point ]

362.5±11.0 °C(Predicted)
[density ]

1.218±0.06 g/cm3(Predicted)
[refractive index ]

-114 ° (C=1, EtOH)
[storage temp. ]

?20°C
[solubility ]

Chloroform (Slightly, Heated), Methanol (Slightly)
[form ]

Solid
[pka]

4.75±0.10(Predicted)
[color ]

Pale Yellow to Light Yellow
[Merck ]

9326
[BRN ]

81852
[InChI]

1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
[InChIKey]

AGBQKNBQESQNJD-ZETCQYMHSA-N
[SMILES]

OC(=O)CCCC[C@H]1CCSS1 || OC(=O)CCCC[C@H]1CCSS1
[LogP]

2.160 (est)
Hazard InformationBack Directory
[Uses]

A fat-metabolism stimulator
[Definition]

ChEBI: (S)-lipoic acid is the (S)-enantiomer of lipoic acid. Not found in nature, it may exert detrimental effects on biosystems. It is a lipoic acid, a heterocyclic fatty acid, a thia fatty acid and a member of dithiolanes. It is functionally related to an octanoic acid. It is an enantiomer of a (R)-lipoic acid.
[Biological Activity]

Biological antioxidant with prooxidant activities . Method for enantioseparation of lipoic acid in dietary supplements by capillary electrophoresis.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

5-[(3S)-Dithiolan-3-yl]pentanoic acid(1077-27-6)MS
5-[(3S)-Dithiolan-3-yl]pentanoic acid(1077-27-6)IR1
5-[(3S)-Dithiolan-3-yl]pentanoic acid(1077-27-6)IR2
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