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6-Methylmercaptopurine

6-Methylmercaptopurine structure

CAS No:
50-66-8
Formula:
C6H6N4S
Chemical Name:
6-Methylmercaptopurine
Synonyms:
9H-Purine,6-(methylthio)-;Purine,6-(methylthio)-;1H-Purine,6-(methylthio)-;6-(Methylthio)-9H-purine;6-Methylmercaptopurine;6-(Methylthio)purine;SQ 8343;S-Methyl-6-mercaptopurine;NSC 20105;24660-73-9
Categories:
Biochemical Engineering > Nucleoside Drugs

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Description

white powder

6-methylthiopurine is a thiopurine that is 9H-purine substituted by a methylsulfanyl group at position 6.

6-Methylmercaptopurine Basic Attributes

Molecular Weight：

166.2

Exact Mass：

166.20

BRN：

7695

EC Number：

200-057-3

UNII：

6V404DV25O

NSC Number：

20105

HScode：

2933990090

Characteristics

PSA：

79.8

XLogP3：

1.07480

Appearance：

White Powder

Density：

1.47 g/cm3

Melting Point：

218-220 °C (decomp)

Boiling Point：

470.2ºC at 760 mmHg

Refractive Index：

1.806

Water Solubility：

soluble in water (769 mg/L).

Storage Conditions：

2-8°C

Collision Cross Section：

129.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|145.1 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|127.7 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|128 Å² [M-H]-

Safety Information

safety instructions：

24/25

RTECS Number：

UO8976000

Drug Information

MeSH Entry Terms：

6-methylmercaptopurine

6-Methylmercaptopurine Use and Manufacturing

Metabolite of 6-Mercaptopurine, an immunosuppressive drug used to treat leukemia.

Computed Properties

Molecular Weight:166.21
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:166.03131738
Monoisotopic Mass:166.03131738
Topological Polar Surface Area:79.8
Heavy Atom Count:11
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 50-66-8

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Guide of 6-Methylmercaptopurine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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6-Methylmercaptopurine

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