8-Thioxo-8-hydroadenosine

Basic Information

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CAS Number

3001-45-4

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

640.3°C at 760 mmHg

Density

1.86

Flash Point

341°C

Refractive Index

1.833

SMILES

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C1=NC(=C2C(=N1)N(C(=S)N2)C3C(C(C(O3)CO)O)O)N

InChI

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

InChIKey

QILZVYQRHGBEAR-UUOKFMHZSA-N

LogP

-1.31741

Topological Polar Surface Area

142.44 Å²

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

402

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

E77017
6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-purine-8(9H)-thione
AKOS030575580
DS-19832
8-mercaptoadenosine
8-Thioadenosine
SCHEMBL6758554
AC-32334
CS-0100809
F16250
6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
QILZVYQRHGBEAR-UUOKFMHZSA-N
MFCD01318026
A897916
3001-45-4
8-mercapto-adenosine
Adenosine,7,8-dihydro-8-thioxo-
8-MERCAPTOADENOSINE
7,8-Dihydro-8-thioxo-adenosine
8-Mercapto-adenosin
8-Mercapto-adenosine
8-Thioadenosin
CBMicro_033363
7,8-Dihydro-8-thioxoadenosine
6-Amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione

MDL Number

MFCD01318026

FAQ

What regulatory guidelines apply to 8-Thioxo-8-hydroadenosine (CAS: 3001-45-4)?

8-Thioxo-8-hydroadenosine (CAS: 3001-45-4) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for its health and environmental hazards. In the European Union, it falls under REACH regulations, which require registration and safety data sheets. FDA and EPA may also have specific guidelines for its handling and disposal in pharmaceutical and environmental contexts.