6-(Methylsulfanyl)-7H-purin-2-amine

Basic Information

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CAS Number

1198-47-6

Molecular Formula

C6H7N5S

Molecular Weight

181.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

235.5°C

Boiling Point

344.1°C at 760 mmHg

Flash Point

161.9°C

Refractive Index

1.4606 (estimate)

SMILES

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CSC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)

InChIKey

YEGKYFQLKYGHAR-UHFFFAOYSA-N

LogP

0.657

Topological Polar Surface Area

80.47999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

166

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

SCHEMBL94363
Purine, 2-amino-6-methylthio-
CCG-53733
1H-Purin-2-amine, 6-(methylthio)-, hemihydrate
s6-methylthioguanine
1H-Purin-2-amine, 6-(methylthio)-
9H-Purin-2-amine, 6-(methylthio)-
S6-Methyl-6-thioguanine
thioguanine S-methylether
CHEMBL1172777
6-(Methylthio)-1H-purin-2-amine
2-Amino-6-methylmercapto-9H-purine
2-Amino-6-methylmercaptopurine, >=95%
AS-61606
BDBM50334271
FT-0620820
6-(Methylsulfanyl)-1H-purin-2-amine #
W-200931
6-(methylthio)-9H-purin-2-amine
EN300-7830130
6-methylsulfanyl-7H-purin-2-amine
AKOS022640875
QNV75HJN3A
CHEBI:140528
Oprea1_551963
2-Amino-6-methylmercaptopurine
UNII-QNV75HJN3A
SR-01000642883-1
AI3-52059
Oprea1_233867
6-Methylthioguanine

MDL Number

MFCD00044701

Customs Code

2933990090

FAQ

What is 6-(Methylsulfanyl)-7H-purin-2-amine (CAS: 1198-47-6)?

6-(Methylsulfanyl)-7H-purin-2-amine, also known as 6-(Methylthio)-purin-2-amine, is a chemical compound with the CAS number 1198-47-6. This compound has a purine ring structure with a methylthio group attached to the nitrogen atom at position 6. It is typically colorless or white crystalline solid under standard conditions.

What are the main uses of 6-(Methylsulfanyl)-7H-purin-2-amine (CAS: 1198-47-6)?

6-(Methylsulfanyl)-7H-purin-2-amine is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other compounds. It is also utilized in research for studying nucleosides and purine analogs. Further applications include its use in the development of potential antiviral and antitumor drugs.

Is 6-(Methylsulfanyl)-7H-purin-2-amine (CAS: 1198-47-6) safe?

6-(Methylsulfanyl)-7H-purin-2-amine is generally considered safe for use in laboratory conditions. However, it is important to follow safety guidelines, including the use of personal protective equipment (PPE) such as gloves and goggles. Avoid contact with eyes and skin, and ensure proper ventilation during handling. Storage in a cool, dry place away from direct sunlight is recommended.

How should 6-(Methylsulfanyl)-7H-purin-2-amine (CAS: 1198-47-6) be stored?

6-(Methylsulfanyl)-7H-purin-2-amine should be stored in a cool, dry place away from direct sunlight and heat sources. It is important to keep the compound in a tightly sealed container to prevent moisture and light exposure. Ideal storage conditions are below 25°C (77°F) and with a relative humidity below 60%. Proper storage helps maintain the chemical stability and integrity of the compound.