3-((4-METHOXYBENZYL)THIO)-1H-1,2,4-TRIAZOLE
3-((4-METHOXYBENZYL)THIO)-1H-1,2,4-TRIAZOLE structure
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Common Name | 3-((4-METHOXYBENZYL)THIO)-1H-1,2,4-TRIAZOLE | ||
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| CAS Number | 17357-75-4 | Molecular Weight | 221.27900 | |
| Density | 1.31g/cm3 | Boiling Point | 428.9ºC at 760mmHg | |
| Molecular Formula | C10H11N3OS | Melting Point | 85-87ºC | |
| MSDS | N/A | Flash Point | 213.2ºC | |
Summary: 3-((4-METHOXYBENZYL)THIO)-1H-1,2,4-TRIAZOLE (Chinese name: 3-[(4-甲氧基苄基)硫代]-1H-1,2,4-三唑，CAS number: 17357-75-4，molecular formula: C10H11N3OS）is an organic compound. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.31g/cm3 |
|---|---|
| Boiling Point | 428.9ºC at 760mmHg |
| Melting Point | 85-87ºC |
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.27900 |
| Flash Point | 213.2ºC |
| Exact Mass | 221.06200 |
| PSA | 76.10000 |
| LogP | 2.10560 |
| Vapour Pressure | 1.46E-07mmHg at 25°C |
| Index of Refraction | 1.63 |
| InChIKey | KFYAPEBBSZVGIF-UHFFFAOYSA-N |
| SMILES | COc1ccc(CSc2ncn[nH]2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~53%
3-((4-METHOXYBE... CAS#:17357-75-4 |
| Literature: Klimesova, Vera; Zahajska, Lenka; Waisser, Karel; Kaustova, Jarmila; Moellmann, Ute Farmaco, 2004 , vol. 59, # 4 p. 279 - 288 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
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| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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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
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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
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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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
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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
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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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
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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
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(4-Methoxybenzylthio)-1H-1,2,4-triazole |
| MFCD01211112 |
| F9995-0091 |
| 3-(4-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole |
| 3-[(4-methoxybenzyl)sulfanyl]-1h-1,2,4-triazole |
| 3-((4-Methoxybenzyl)thio)-1H-1,2,4-triazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole have? |
| A: English synonyms of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole: 3-(4-Methoxybenzylthio)-1H-1,2,4-triazole, MFCD01211112, F9995-0091, 3-(4-Methoxy-benzylsulfanyl)-4H-[1,2,4]triazole, 3-[(4-methoxybenzyl)sulfanyl]-1h-1,2,4-triazole, 3-((4-Methoxybenzyl)thio)-1H-1,2,4-triazole. |
| Q: What are the upstream materials of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: Related upstream materials(CAS) of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole: 3179-31-5;824-94-2. |
| Q: What is the melting point of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: Melting point of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 85-87ºC. |
| Q: What is the boiling point of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: Boiling point of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 428.9ºC at 760mmHg. |
| Q: What is the LogP of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: LogP of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 2.10560. |
| Q: What is the English name of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: The English name of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole. |
| Q: What is the CAS number of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: CAS number of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 17357-75-4. |
| Q: What is the molecular formula of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: Molecular formula of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is C10H11N3OS. |
| Q: What is the molecular weight of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: Molecular weight of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 221.27900. |
| Q: What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole? |
| A: InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is KFYAPEBBSZVGIF-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |