5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

Modify Date: 2025-08-25 14:42:50

5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Structure
5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL structure
Common Name 5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
CAS Number 39751-84-3 Molecular Weight 256.12200
Density 1.83g/cm3 Boiling Point 325.6ºC at 760 mmHg
Molecular Formula C8H6BrN3S Melting Point N/A
MSDS N/A Flash Point 150.7ºC

 Names

Name 5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.83g/cm3
Boiling Point 325.6ºC at 760 mmHg
Molecular Formula C8H6BrN3S
Molecular Weight 256.12200
Flash Point 150.7ºC
Exact Mass 254.94700
PSA 80.37000
LogP 2.52290
Index of Refraction 1.775
InChIKey SVLYSRWJOIGDAY-UHFFFAOYSA-N
SMILES S=c1nc(-c2ccccc2Br)[nH][nH]1

 Safety Information

HS Code 2933990090

 Synthetic Route

~68%

5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Structure

5-(2-BROMO-PHEN...

CAS#:39751-84-3

Literature: Bindal, Varinder; Sharma, Brij Raj; Narayan, Sat; Handa, R. N.; Pujari, H. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 526 - 531

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5-(2-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Structure

5-(2-BROMO-PHEN...

CAS#:39751-84-3

Literature: Bindal, Varinder; Sharma, Brij Raj; Narayan, Sat; Handa, R. N.; Pujari, H. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 526 - 531

 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: 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: 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
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 Synonyms

5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol
3-(o-bromophenyl)-5-mercapto-s-triazole
4h-1,2,4-triazole-3-thiol,5-(2-bromophenyl)
5-bromo-3-mercapto-1,2,4-triazole
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