2-Amino-6-purinethiol

Description

2-Amino-6-purinethiol · CAS 154-42-7 · C5H5N5S. UNII WIX31ZPX66. Melting Point: >360 °C; Melting Point: GREATER THAN 360 °C; Melting Point: > 360 °C.

Identification

CAS Registry Number	154-42-7
PubChem CID	2723601
Molecular formula	C5H5N5S
IUPAC name	2-amino-3,7-dihydropurine-6-thione
UNII (FDA)	WIX31ZPX66

Computed Descriptors

Molecular Weight	167.19
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	167.02656635
Monoisotopic Mass	167.02656635
Topological Polar Surface Area	111
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	>360 °C
Melting Point	GREATER THAN 360 °C
Melting Point	> 360 °C
Solubility	36.3
Solubility	8.34e-01 g/L
LogP	-0.07
LogP	Log Kow = -0.07
LogP	-0.7
LogP	-0.16

Physical description & handling notes

• 6-thioguanine appears as odorless or almost odorless pale yellow crystalline powder. (NTP, 1992)
• Solid
• NEEDLES FROM WATER
• YELLOW, CRYSTALLINE POWDER
• ODORLESS OR PRACTICALLY ODORLESS
• greater than 680 °F (NTP, 1992)

GHS Hazard Classification

Reported hazard statements	H301 (97.9%), H341 (14.6%)

Documented Uses

• 6-THIOGUANINE RESISTANCE IS USED AS GENETIC MARKERS FOR MUTAGEN SCREENING... CHINESE HAMSTER CELLS V-79 ARE DESCRIBED AS CONVENIENT SYSTEMS FOR DETECTION OF MUTAGENS IN VITRO & IN SITU.
• For remission induction and remission consolidation treatment of acute nonlymphocytic leukemias.
• BY THIATION OF GUANINE WITH PHOSPHORUS PENTASULFIDE.
• Thioguanine (also referred to as 6-thioguanine and as tioguanine) is a purine analogue that is used in the therapy of acute and chronic myelogenous leukemias. Thioguanine therapy is associated with minor, usually transient and asymptomatic elevations in serum aminotransferase levels and has also been linked to rare instances of cholestatic acute liver injury and to chronic liver injury, resulting in portal hypertension due to nodular regenerative hyperplasia.
• Breast Feeding; Lactation; Milk, Human; Antimetabolites; Antineoplastic Agents
• Lymphoid leukaemia, not elsewhere classified

Synonyms

6-Thioguanine; thioguanine; 154-42-7; Tioguanine; 2-Amino-6-mercaptopurine; 6-Mercaptoguanine; Tabloid; Tioguanin; Lanvis; 2-Amino-6-purinethiol; 2-Amino 6MP; 2-Aminopurin-6-thiol; 2-Aminopurine-6-thiol; 2-Aminopurine-6(1H)-thione; Wellcome U3B; 6-Mercapto-2-aminopurine

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Amino-6-purinethiol?

CAS 154-42-7; molecular formula C5H5N5S; molecular weight — g/mol.

What other names is 2-Amino-6-purinethiol known by?

6-Thioguanine, thioguanine, 154-42-7, Tioguanine, 2-Amino-6-mercaptopurine, 6-Mercaptoguanine.

Is 2-Amino-6-purinethiol classified as hazardous?

Hazard statements reported: H301, H341.

What are the key physical properties of 2-Amino-6-purinethiol?

Melting Point: >360 °C; Melting Point: GREATER THAN 360 °C; Melting Point: > 360 °C; Solubility: 36.3.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.