6-Mercaptopurine monohydrate

Also known as: 6-Purinethiol monohydrate, 6-Thiohypoxanthine monohydrate, Mercaptopurine hydrate, 6-Mercaptopurine hydrate, 7H-purine-6-thiol hydrate, 1,7-Dihydro-6H-purine-6-thione monohydrate, 6-MP monohydrate, Leukerin monohydrate

6-Mercaptopurine monohydrate (CAS 6112-76-1) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C5H6N4OS and a molecular weight of 170.192 g/mol. Key properties include a melting point of >300 °C(lit.), a boiling point of 490.6ºC at 760 mmHg and a flash point of 250.5ºC. It is classified under GHS with signal word Warning and hazard statements H302 — Harmful if swallowed, H315 — Causes skin irritation and H319 — Causes serious eye irritation. No supplier offers are currently listed; request a quote. Record last updated Nov 3, 2026.

CAS No.: 6112-76-1
Jingsj CID: J-20937-1
Molecular Formula: C₅H₆N₄OS
Molecular Weight: 170.192 g/mol
Category: Pharma Intermediates
Last updated: 11/3/2026

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Physicochemical Properties

Melting Point	>300 °C(lit.)
Boiling Point	490.6ºC at 760 mmHg
Flash Point	250.5ºC
Exact Mass	170.026230
PSA	98.68000
LogP	0.95120
Additional Property	INSOLUBLE

GHS Safety & Compliance

IrritantSignal word: Warning

H302 — Harmful if swallowed
H315 — Causes skin irritation
H319 — Causes serious eye irritation
H335 — May cause respiratory irritation

Activity & Biological Data

Target	endogenous purines[1]
Additional Information	[1]. Sahasranaman S, et al. Clinical pharmacology and pharmacogenetics of thiopurines. Eur J Clin Pharmacol. 2008 Aug;64(8):753-67. [2]. Liu Q, et al. 6-Mercaptopurine augments glucose transport activity in skeletal muscle cells in part via a mechanism dependent upon orphan nuclear receptor NR4A3. Am J Physiol Endocrinol Metab. 2013 Nov 1;305(9):E1081-92. [3]. Kanemitsu H, et al. 6-Mercaptopurine (6-MP) induces cell cycle arrest and apoptosis of neural progenitor cells in the developing fetal rat brain. Neurotoxicol Teratol. 2009 Mar-Apr;31(2):104-9.

Target

endogenous purines[1]

Additional Information

[1]. Sahasranaman S, et al. Clinical pharmacology and pharmacogenetics of thiopurines. Eur J Clin Pharmacol. 2008 Aug;64(8):753-67. [2]. Liu Q, et al. 6-Mercaptopurine augments glucose transport activity in skeletal muscle cells in part via a mechanism dependent upon orphan nuclear receptor NR4A3. Am J Physiol Endocrinol Metab. 2013 Nov 1;305(9):E1081-92. [3]. Kanemitsu H, et al. 6-Mercaptopurine (6-MP) induces cell cycle arrest and apoptosis of neural progenitor cells in the developing fetal rat brain. Neurotoxicol Teratol. 2009 Mar-Apr;31(2):104-9.

Customs & Trade Information

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Frequently Asked Questions

What is the CAS number of 6-Mercaptopurine monohydrate?

The CAS number of 6-Mercaptopurine monohydrate is 6112-76-1.

What are the molecular formula and molecular weight of 6-Mercaptopurine monohydrate?

6-Mercaptopurine monohydrate has molecular formula C5H6N4OS and molecular weight 170.192 g/mol.

Is 6-Mercaptopurine monohydrate hazardous?

6-Mercaptopurine monohydrate has GHS signal word Warning and hazard statements H302 — Harmful if swallowed; H315 — Causes skin irritation; H319 — Causes serious eye irritation.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 11/3/2026

How to cite: Jingsj. "6-Mercaptopurine monohydrate (CAS 6112-76-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-20937-1 (accessed 2026-11-07).

Data for reference only; verify product details with suppliers before purchase.