2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Basic Information

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CAS Number

67831-83-8

Molecular Formula

C7H7N3OS

Molecular Weight

181.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

296-298°C

Boiling Point

422.3°C at 760 mmHg

Density

1.6

Flash Point

209.2°C

Refractive Index

1.776

SMILES

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CSC1=NC2=C(C=CN2)C(=O)N1

InChI

InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)

InChIKey

YLZXOIATWSHVDK-UHFFFAOYSA-N

LogP

1.3853999999999995

Topological Polar Surface Area

61.800000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

241

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-METHYLSULFANYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-OL
BP-20052B
BP-20052
AKOS022177911
2-(Methylthio)-7H-pyrrolo[2 pound not3-d]pyrimidin-4-ol
J-506494
4-hydroxy-2-(methylthio)-7h-pyrrolo[2,3-d]pyrimidine
2-methylsulphanyl-7h-pyrrolo[2,3-d]pyrimidin-4-ol
3,4-Dihydro-2-[methylthio]-4H-pyrrolo[2,3-d]pyrimidin-4-one
PS-3939
2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ol
2-(Methylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-ol
NSC124161
EN300-6481462
4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-amino-1-(2-deoxypentofuranosyl)-1,5-dihydro-3-iodo-
NSC673094
SCHEMBL161735
PS-3282
J-510106
2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
A867180
Z1201621794
DTXSID50987175
NSC-673094
67831-83-8
2-(Methylsulfanyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one #
6-amino-1-(2-deoxypentofuranosyl)-3-iodo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
FT-0677426
MFCD02668244
2-(methylthio)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
InChI=1/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11

MDL Number

MFCD02668244

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 67831-83-8)?

2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one is subject to regulatory guidelines such as GHS (Global Harmonized System of Classification and Labeling of Chemicals) for classification and labeling, REACH regulations for identifying and managing chemical hazards, and FDA/EPA requirements for safety, environmental impact assessment, and disposal. Compliance with these regulations is essential for its safe handling and use.

Are there alternatives to 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 67831-83-8) in synthesis?

There are several alternatives to 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one in synthesis, including related pyrimidine derivatives and analogs such as 5-Substituted pyrimidines or thiazoles. These alternatives can serve as effective substitutes depending on the specific needs of the synthesis and the desired properties of the final product.

What is the market or research trend for 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 67831-83-8)?

The market for 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one is growing due to its applications in pharmaceuticals, particularly in the treatment of diseases such as diabetes and neurodegenerative disorders. Research trends are focused on optimizing its synthesis, exploring new therapeutic uses, and understanding its biological mechanisms. Market demand is expected to increase with further advancements in its application fields.

How should waste containing 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 67831-83-8) be handled?

Waste containing 2-(Methylsulfanyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one should be collected in appropriate containers and disposed of through incineration or professional waste disposal services. Proper environmental precautions include ensuring the waste is neutralized and treated to minimize environmental impact. Compliance with local and international regulations for chemical waste disposal is crucial for safe handling and disposal.