6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one

Modify Date: 2025-08-25 16:11:30

6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one structure	Common Name	6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one
	CAS Number	2002-59-7	Molecular Weight	168.176
	Density	1.8±0.1 g/cm3	Boiling Point	722.6±63.0 °C at 760 mmHg
	Molecular Formula	C₅H₄N₄OS	Melting Point	300 °C
	MSDS	N/A	Flash Point	390.8±33.7 °C

Name	6-Thioxanthine
Synonym	More Synonyms

Density	1.8±0.1 g/cm3
Boiling Point	722.6±63.0 °C at 760 mmHg
Melting Point	300 °C
Molecular Formula	C₅H₄N₄OS
Molecular Weight	168.176
Flash Point	390.8±33.7 °C
Exact Mass	168.010574
PSA	109.42000
LogP	-0.70
Vapour Pressure	0.0±2.4 mmHg at 25°C
Index of Refraction	1.894
InChIKey	RJOXFJDOUQJOMQ-UHFFFAOYSA-N
SMILES	O=c1[nH]c(=S)c2[nH]cnc2[nH]1
Storage condition	2-8°C

Hazard Codes	Xn: Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S24/25-S36
HS Code	2933990090

2,6-Dihydroxypurine

CAS#:69-89-6

6-Thioxo-6,9-di...

CAS#:2002-59-7

Literature: Journal of the American Chemical Society, , vol. 76, p. 5633,5635,5636

2-chloro-3,5-di...

CAS#:40769-62-8

6-Thioxo-6,9-di...

CAS#:2002-59-7

Literature: US2697709 , ;

2,6-Dichloropurine

CAS#:5451-40-1

6-Thioxo-6,9-di...

CAS#:2002-59-7

Literature: US2697709 , ;

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%

Name: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR101

Name: qHTS for Inhibitors of Polymerase Iota
Source: NCGC
Target: DNA polymerase iota [Homo sapiens]
External Id: PolI100

Name: Substrate activity at Helicobacter pylori XGHPRT assessed as Kcat using purine base a...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4826250

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100

Name: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR100

Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2Venus

Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201

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