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2-Thiooxamic acid ethyl ester

CAT: 0804-HY-78216-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-78216-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Thiooxamic acid ethyl ester is an organic compound containing thiocarbonyl and ethyl ester groups. 2-Thiooxamic acid ethyl ester can be used in the study of cancer (such as chronic myeloid leukemia, breast cancer, etc.) [1][2].
CAS Number
16982-21-1
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/2-thiooxamic-acid-ethyl-ester.html
Purity
99.46
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC(C(OCC)=O)=S
Molecular Formula
C4H7NO2S
Molecular Weight
133.17
Precautions
H302, H315, H319, H335
References & Citations
[1]Tang R, et al. Design, Synthesis, and Biological Evaluation of Novel Activators of Human Caseinolytic Protease P with a Pyrazololactam Scaffold. J Med Chem. 2025 May 22;68 (10) :9984-10007. |[2]da Cunha T, et al. Topological control of supramolecular crystal structures of phenylene bis-monothiooxamate derivatives and in vitro anticancer activity. Journal of Molecular Structure, 2017, 1149: 803-811.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Ethyl thiooxamate
CAS Number16982-21-1
PubChem CID2733398
IUPAC Nameethyl 2-amino-2-sulfanylideneacetate
Molecular FormulaC4H7NO2S
Molecular Weight133.17
XLogP0.4
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity113
SMILES
CCOC(=O)C(=S)N
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)
InChIKey
YMBMCMOZIGSBOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl thiooxamate
CAS: 16982-21-1
CID: 2733398
Formula: C4H7NO2S
MW: 133.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.17
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass133.01974964
Monoisotopic Mass133.01974964
Topological Polar Surface Area84.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity113
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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