2-Thioxo-2-hydroadenosine

Basic Information

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CAS Number

43157-50-2

Molecular Formula

C10H13N5O4S

Molecular Weight

299.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

544.5℃/760mmHg

SMILES

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C1=NC2=C(NC(=S)N=C2N1C3C(C(C(O3)CO)O)O)N

InChI

InChI=1S/C10H13N5O4S/c11-7-4-8(14-10(20)13-7)15(2-12-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1

InChIKey

LTESOZAUMTUKQX-UUOKFMHZSA-N

LogP

-1.3174100000000009

Topological Polar Surface Area

142.44 Å²

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

548

Synonyms & References

English

SCHEMBL2463630
SCHEMBL8862402
6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-2H-purine-2-thione
6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3,9-dihydro-purine-2-thione
AC-30416
EN300-27187959
(2R,3R,4S,5R)-2-(6-amino-2-sulfanyl-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
6-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2-thione
CHEMBL4761218
2-Thioadenosine
CS-0078716
LTESOZAUMTUKQX-UUOKFMHZSA-N
(2S,3R,4S,5R)-2-(6-amino-2-mercapto-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
Cangrelor Impurity 6
MFCD00171540
BDBM50552883
2-thiodenosine
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-2-thione
AKOS026674387
DTXSID70195735
2-Mercaptoadenosine
Adenosine, 1,2-dihydro-2-thioxo-
43157-50-2
DS-11969
AM85769
Adenosine,1,2-dihydro-2-thioxo-
2-THIOADENOSINE
2-THIOADENOSINE,2-Mercaptoadenosine
2-thio-isoguanosine
2-thioladenosine
Adenosine,1,2-dihydro-2-thioxo

MDL Number

MFCD00171540

FAQ

What are the physical and chemical properties of 2-Thioxo-2-hydroadenosine (CAS: 43157-50-2)?

2-Thioxo-2-hydroadenosine is a crystalline solid with a molecular weight of approximately 316.07 g/mol. It has a low solubility in water and organic solvents. The compound is relatively stable under normal conditions but reacts with strong acids and bases. It is sensitive to heat and light.

How is 2-Thioxo-2-hydroadenosine (CAS: 43157-50-2) typically synthesized?

2-Thioxo-2-hydroadenosine can be synthesized by the condensation of adenosine with a thioacetic acid derivative. Commonly, this involves the use of a base such as sodium hydride as a catalyst. The yield is typically around 70%, and the method is selective and efficient.

What industries use 2-Thioxo-2-hydroadenosine (CAS: 43157-50-2)?

2-Thioxo-2-hydroadenosine is used in the pharmaceutical industry for its potential as a nucleoside analog. It may also have applications in the development of biosensors and as a reagent in organic synthesis. Its use in semiconductors and polymers is less common but has been explored.

What precautions should be taken when handling 2-Thioxo-2-hydroadenosine (CAS: 43157-50-2)?

When handling 2-Thioxo-2-hydreadenosine, use appropriate personal protective equipment (PPE) such as gloves and goggles. Store the compound in a cool, dry place away from direct sunlight and heat sources. Always work in a well-ventilated area or a fume hood. In case of spill, clean up with care and refer to the Safety Data Sheet (SDS) for specific instructions.