3-phenyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile

Modify Date: 2026-07-01 17:49:31

3-phenyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile Structure
3-phenyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile structure
Common Name 3-phenyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
CAS Number 83253-38-7 Molecular Weight 227.28500
Density 1.36g/cm3 Boiling Point 511.7ºC at 760 mmHg
Molecular Formula C12H9N3S Melting Point N/A
MSDS N/A Flash Point 263.3ºC

 Names

Name 6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 511.7ºC at 760 mmHg
Molecular Formula C12H9N3S
Molecular Weight 227.28500
Flash Point 263.3ºC
Exact Mass 227.05200
PSA 66.91000
LogP 2.52748
Index of Refraction 1.733
InChIKey IZQIKDXGZAUCPH-UHFFFAOYSA-N
SMILES N#Cc1c(-c2ccccc2)nc2n1CCS2

 Synthetic Route

~%

3-phenyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile Structure

3-phenyl-6-thia...

CAS#:83253-38-7

Learn More
Literature: Andreani; Bonazzi; Rambaldi; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 3 p. 271 - 274

~%

3-phenyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile Structure

3-phenyl-6-thia...

CAS#:83253-38-7

Learn More
Literature: Andreani; Bonazzi; Rambaldi; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 3 p. 271 - 274

 Bioassay

View more

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: 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: 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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: EZH2/PRC2 methyltransferase inhibitors Measured in Biochemical System Using Plate Rea...
Source: Broad Institute
Target: histone-lysine N-methyltransferase EZH2 isoform a [Homo sapiens]
External Id: 2125-01_Inhibitor_SinglePoint_HTS_Activity
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 Synonyms

hms2683i11
hms1532h09
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