4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Basic Information

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CAS Number

770-31-0

Molecular Formula

C6H7N3OS

Molecular Weight

169.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Melting Point

185-189°C

Boiling Point

379.7°C at 760 mmHg

Density

1.4

Refractive Index

1.62

SMILES

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CSC1=NC=C(C(=N1)N)C=O

InChI

InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)

InChIKey

FGONQMFYFJRAIG-UHFFFAOYSA-N

LogP

0.5932000000000001

Topological Polar Surface Area

68.87 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

144

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

4-amino-2-methylsulfanyl-pyrimidine-5-carboxaldehyde
Tert-butylcis-N-(2-hydroxycyclopentyl)carbamate
MFCD08669438
AS-19262
770-31-0
5-PYRIMIDINECARBOXALDEHYDE, 4-AMINO-2-(METHYLTHIO)-
4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde
CS-W003536
FT-0658386
AC-29426
NSC165376
BCP03540
FGONQMFYFJRAIG-UHFFFAOYSA-N
A19156
4-Amino-2-methanethiopyrimidine-5-carboxaldehyde
PB31299
4-AMINO-2-(METHYLTHIO)-5-PYRIMIDINECARBOXALDEHYDE
4-amino-2-(methyl sulfanyl)pyrimidine-5-carbaldehyde
4-amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
4-amino-2-(methylthio)pyrimidine-5-carbaldehyde
NSC-165376
DTXSID00304313
AKOS005266485
4-amino-2-(methylsulfanyl)-pyrimidine-5-carbaldehyde
4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde
SCHEMBL1168107
AM20100762
4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXALDEHYDE
SY026667
J-514307
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde

MDL Number

MFCD08669438

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde (CAS: 770-31-0)?

The compound is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. GHS provides guidelines for classification and labeling based on health, environmental, and physical hazards. REACH regulations in the EU require manufacturers and importers to register chemicals, assess their safety, and manage risks. FDA and EPA have specific guidelines for the safe handling, storage, and disposal of hazardous chemicals, including this compound.

Are there alternatives to 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde (CAS: 770-31-0) in synthesis?

While 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde is a valuable intermediate in organic synthesis, alternatives may include related compounds like 2-(aminomethyl)-5-chloropyrimidine or 2-amino-4-chloropyrimidine. These alternatives may offer similar functional groups but with different reactivity. Other substitutes could be isomers or analogs, such as 4-amino-pyrimidine-5-carbaldehyde, which can serve as useful equivalents in certain synthetic routes.

What is the market or research trend for 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde (CAS: 770-31-0)?

Research trends for 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde (CAS: 770-31-0) indicate increasing interest in its use as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound is particularly valued for its ability to facilitate the introduction of methylthio and carboxaldehyde functionalities, which are common in bioactive molecules. Market demand is driven by advancements in drug discovery and crop protection technologies.

How should waste containing 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde (CAS: 770-31-0) be handled?

Waste containing 4-amino-2-methylsulfanyl-pyrimidine-5-carbaldehyde (CAS: 770-31-0) should be handled according to hazardous waste management guidelines. Collect waste in appropriate containers, ensuring it is sealed and labeled with the correct hazard symbols and identification. Incineration or professional waste disposal should be used to ensure safe destruction. Environmental protection measures include monitoring air emissions and liquid effluents to prevent contamination. Always follow local and national regulations for waste management and disposal.