2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one | CAS No. 955368-90-8

2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one

Basic Information

CAS Number

955368-90-8

Molecular Formula

C9H10N4OS

Molecular Weight

222.27 g/mol

AD

Basic Physical Properties

CSC1=NC=C2C(=N1)NN(C2=O)CC=C

InChI

InChI=1S/C9H10N4OS/c1-3-4-13-8(14)6-5-10-9(15-2)11-7(6)12-13/h3,5H,1,4H2,2H3,(H,10,11,12)

InChIKey

JKBQCALHIQOSTC-UHFFFAOYSA-N

LogP

1.0274999999999999

Topological Polar Surface Area

63.57 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

273

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H320 Causes eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
  • 2-allyl-6-(methylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
  • 2-Allyl-6-(methylthio)-1H-pyrazolo-[3,4-d]pyrimidin-3(2H)-one
  • 6-methylsulfanyl-2-prop-2-enyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
  • 1,2-Dihydro-6-(methylthio)-2-(2-propen-1-yl)-3H-pyrazolo[3,4-d]pyrimidin-3-one (ACI)
  • 2-Allyl-6-(methylthio)-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
  • ARD193818
  • 2-allyl-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one (MK-1775 intermediate_
  • MFCD19443206
  • SY116172
  • DTXSID00736559
  • 2-allyl-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
  • DS-17753
  • JKBQCALHIQOSTC-UHFFFAOYSA-N
  • 6-(METHYLSULFANYL)-2-(PROP-2-EN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE
  • CS-M1914
  • AKOS016007110
  • DA-00207
  • 6-(Methylsulfanyl)-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
  • SCHEMBL1813916
  • 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4,-d]pyrimidin-3(2H)-one
  • 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one, AldrichCPR
  • 955368-90-8

MDL Number

MFCD19443206

FAQ

What is 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one (CAS: 955368-90-8)?

2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one is an organic compound with the CAS number 955368-90-8. It is a pyrimidine derivative with a pyrazole ring and an allyl side chain. This compound has a molecular formula C10H11N5OS and is characterized by its aromatic and thioether functional groups.

What are the main uses of 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one (CAS: 955368-90-8)?

2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one is primarily used in pharmaceutical research for its potential as a therapeutic agent. It may also have applications in the development of antiviral and antifungal drugs. Additionally, it could be used as a precursor in synthetic chemistry for the production of other compounds.

Is 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one (CAS: 955368-90-8) safe?

2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one is considered safe for use in laboratory settings with proper handling and storage. However, it should be used with caution due to its potential for skin and eye irritation. Protective measures include wearing gloves and safety goggles. It should be stored away from direct sunlight and in a cool, dry place.

How should 2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one (CAS: 955368-90-8) be stored?

2-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one should be stored in a cool, dry place to avoid degradation. It should be kept away from direct sunlight and heat sources. The compound should be stored in a tightly sealed container to prevent moisture absorption and ensure its stability. Proper labeling and documentation are also essential for safe storage and handling.

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