1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione

Modify Date: 2025-09-01 11:20:58

1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione Structure
1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione structure
Common Name 1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
CAS Number 1784-70-9 Molecular Weight 212.22900
Density 1.65g/cm3 Boiling Point 298.1ºC at 760 mmHg
Molecular Formula C7H8N4O2S Melting Point N/A
MSDS N/A Flash Point 134.1ºC

 Names

Name 1,3-dimethyl-8-sulfanylidene-7,9-dihydropurine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.65g/cm3
Boiling Point 298.1ºC at 760 mmHg
Molecular Formula C7H8N4O2S
Molecular Weight 212.22900
Flash Point 134.1ºC
Exact Mass 212.03700
PSA 111.48000
Vapour Pressure 0.0013mmHg at 25°C
Index of Refraction 1.748
InChIKey NBQIXPZKEFZVMP-UHFFFAOYSA-N
SMILES Cn1c(=O)c2[nH]c(=S)[nH]c2n(C)c1=O

 Safety Information

HS Code 2933990090

 Customs

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%

 Bioassay

View more

Name: A screen for compounds that inhibit cell wall-associated teichoic acid synthesis in S...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS704
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: ORF 73 [Human herpesvirus 8 type M]
External Id: HMS791
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

8-mercapto-theophylline
8-thiotheophylline
8-<3-Pyridyl>-theophyllin
8-(pyridin-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
8-<Pyridyl-(3)>-theophyllin
1,3-dimethyl-8-mercaptoxanthine
1,3-dimethyl-8-pyridin-3-yl-3,7(9)-dihydro-purine-2,6-dione
1,3-dimethyl-8-thioxanthine
Theophylline,8-(3-pyridyl)
8-(3-Pyridyl)theophylline
1,3-dimethyl-8-thioxo-3,7,8,9-tetrahydro-purine-2,6-dione
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