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Thioctamide

CAT: 0926-FT40952-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FT40952-01Size:500 mg
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CAS Number
940-69-2
MDL Number
MFCD00005475
Smiles
C1CSSC1CCCCC (=O) N
Molecular Formula
C8H15NOS2
Molecular Weight
205.34 g/mol
Controlled
No

Chemical Information

Lipoamide

Lipoamide is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a monocarboxylic acid amide and a member of dithiolanes. It is functionally related to a lipoic acid.

CAS Number940-69-2
PubChem CID863
IUPAC Name5-(dithiolan-3-yl)pentanamide
Molecular FormulaC8H15NOS2
Molecular Weight205.3
XLogP1
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity152
SMILES
C1CSSC1CCCCC(=O)N
InChI
InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
InChIKey
FCCDDURTIIUXBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipoamide
CAS: 940-69-2
CID: 863
Formula: C8H15NOS2
MW: 205.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.3
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass205.05950645
Monoisotopic Mass205.05950645
Topological Polar Surface Area93.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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