5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione

Modify Date: 2025-09-26 11:21:23

5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione Structure
5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione structure
Common Name 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione
CAS Number 41266-80-2 Molecular Weight 180.23000
Density 1.5g/cm3 Boiling Point 259.6ºC at 760 mmHg
Molecular Formula C7H8N4S Melting Point N/A
MSDS N/A Flash Point 110.8ºC

 Names

Name 5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5g/cm3
Boiling Point 259.6ºC at 760 mmHg
Molecular Formula C7H8N4S
Molecular Weight 180.23000
Flash Point 110.8ºC
Exact Mass 180.04700
PSA 81.88000
LogP 1.02980
Index of Refraction 1.767
InChIKey YINCJELKAOSUAF-UHFFFAOYSA-N
SMILES Cc1cc(C)n2c(=S)[nH]nc2n1

 Safety Information

HS Code 2933990090

 Synthetic Route

~84%

5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione Structure

5,7-dimethyl-2H...

CAS#:41266-80-2

Literature: Al-Ashmawy; Abd El-Samii; El Feky; Osman Bollettino Chimico Farmaceutico, 1998 , vol. 137, # 4 p. 110 - 114

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5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione Structure

5,7-dimethyl-2H...

CAS#:41266-80-2

Literature: Bower; Doyle Journal of the Chemical Society, 1957 , p. 727,732

 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

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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 Synonyms

3-Mercapto-5,7-dimethyl-s-triazolo<4,3-a>pyrimidin
5,7-dimethyl-4-hydro-1,2,4-triazolo[4,3-a]pyrimidine-3-thiol
1-Mercapto-5,7-dimethyl-s-triazolo<3,4-b>pyrimidin
5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-thiol
5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine-3(2H)-thione
3-Mercapto-4,6-dimethyl-1,2,3a,7-tetraaza-inden
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