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6112-76-1

6112-76-1 structural image
Product Name: 6-Mercaptopurine monohydrate
Formula: C5H6N4OS
Synonyms: 6-Mercaptopurine monohydrate;6-Purinethiol;6-Thiohypoxanthine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 6-mercaptopurine monohydrate is an odorless light yellow to yellow crystalline powder. Becomes anhydrous at 284 °F. (NTP, 1992)
Melting Point 586 °F (decomposes) (NTP, 1992)
Solubility >25.5 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H341:Germ cell mutagenicity
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 170.20 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 170.02623200 g/mol
Monoisotopic Mass 170.02623200 g/mol
Topological Polar Surface Area 86.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 190
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

6-mercaptopurine monohydrate is an odorless light yellow to yellow crystalline powder. Becomes anhydrous at 284 °F. (NTP, 1992)

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product:6-Mercaptopurine monohydrate
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