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H2S Donor 5a

CAT: 0804-HY-130347-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130347-01Size:5 mg
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Description
H2S Donor 5a is a cysteine-activated H2S donor. H2S plays important roles in biological systems. H2S Donor 5a is a useful tool in H2S research[1].
CAS Number
134861-13-5
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/h2s-donor-5a.html
Concentration
10mM
Purity
98.82
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC=C1)SNC(C2=CC=CC=C2)=O
Molecular Formula
C14H11NO2S
Molecular Weight
257.31
References & Citations
[1]Zhao Y, et al. Cysteine-activated hydrogen sulfide (H2S) donors. J Am Chem Soc. 2011;133 (1) :15-17.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

H2S Donor 5a
CAS Number134861-13-5
PubChem CID14952493
IUPAC NameS-benzamido benzenecarbothioate
Molecular FormulaC14H11NO2S
Molecular Weight257.31
XLogP3.1
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity294
SMILES
C1=CC=C(C=C1)C(=O)NSC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H11NO2S/c16-13(11-7-3-1-4-8-11)15-18-14(17)12-9-5-2-6-10-12/h1-10H,(H,15,16)
InChIKey
IJYATHJDICJZLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of H2S Donor 5a
CAS: 134861-13-5
CID: 14952493
Formula: C14H11NO2S
MW: 257.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.31
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass257.05104977
Monoisotopic Mass257.05104977
Topological Polar Surface Area71.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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