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Citiolone

CAT: 0013-GTR19176244-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19176244-04Size:1 g
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Description
Citiolone (Thioxidrene) is a cysteine-derived compound used in hepatic research. It serves as a model hepatoprotective agent in both in vitro cell-based assays and in vivo animal studies investigating liver injury and detoxification pathways.
CAS Number
1195-16-0
Product Name Alternative
Thioxidrene, Citiolase, Citiolone
Field of Research
Pharmacology & Drug Discovery
Purity
98.18% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (20.73 mM) ; DMSO:80 mg/mL (502.48 mM) ; H2O:50 mg/mL (314.05 mM)
Smiles
CC (=O) NC1CCSC1=O
Molecular Formula
C6H9NO2S
Molecular Weight
159.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Citiolone

N-(2-oxo-3-thiolanyl)acetamide is a N-acyl-amino acid.

CAS Number1195-16-0
PubChem CID14520
IUPAC NameN-(2-oxothiolan-3-yl)acetamide
Molecular FormulaC6H9NO2S
Molecular Weight159.21
XLogP-0.3
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity169
SMILES
CC(=O)NC1CCSC1=O
InChI
InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKey
NRFJZTXWLKPZAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Citiolone
CAS: 1195-16-0
CID: 14520
Formula: C6H9NO2S
MW: 159.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.21
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass159.03539970
Monoisotopic Mass159.03539970
Topological Polar Surface Area71.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity169
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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CatalogName
HY-B0931-01Citiolone
A16456-1000Citiolone 1g
A16456-100Citiolone 100mg
A16456-500Citiolone 500mg
A16456-250Citiolone 250mg
HY-B0931R-01Citiolone (Standard)
A16456-10mM-DCitiolone 10mM * 1mL in DMSO

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