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Citiolase

CAT: 0013-GTR19156382-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19156382-01Size:1 g
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Description
Citiolone is a thiolic-derived medication as a mucolytic agent for the treatment of certain hepatic disorders.
CAS Number
1195-16-0
Product Name Alternative
Citiolone | Thioxidrene
Purity
>98% (HPLC)
Solubility
DMSO : 35 mg/mL (219.84mM)
Smiles
CC (NC (CCS1) C1=O) =O
Molecular Formula
C6H9NO2S
Molecular Weight
159.21
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
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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