1H-1,2,4-Triazole, 3-[(phenylmethyl)thio]

Modify Date: 2025-09-10 02:34:25

1H-1,2,4-Triazole, 3-[(phenylmethyl)thio] Structure
1H-1,2,4-Triazole, 3-[(phenylmethyl)thio] structure
Common Name 1H-1,2,4-Triazole, 3-[(phenylmethyl)thio]
CAS Number 21239-87-2 Molecular Weight 191.25300
Density N/A Boiling Point N/A
Molecular Formula C9H9N3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 1H-1,2,4-Triazole, 3-[(phenylmethyl)thio]
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H9N3S
Molecular Weight 191.25300
Exact Mass 191.05200
PSA 66.87000
LogP 2.09700
InChIKey IQQYSQRJFHUASD-UHFFFAOYSA-N
SMILES c1ccc(CSc2ncn[nH]2)cc1

 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

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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: Dissociation constant (pKa)
Source: ChEMBL
Target: N/A
External Id: CHEMBL634635
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
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
Name: OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from 21 p...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL2114000
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 Synonyms

3-Benzylmercapto-1,2,4-triazol
3-Benzyl-L-histidine dihydrochloride
L-Histidine,3-(phenylmethyl)-,dihydrochloride
3-(phenylmethyl)-L-histidine,dihydrochloride
3-benzylsulfanyl-4H-[1,2,4]triazole
3-Benzylthio-1,2,4-triazol
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