1-PHENYL-3-(PYRIDIN-3-YLMETHYL)THIOUREA
1-PHENYL-3-(PYRIDIN-3-YLMETHYL)THIOUREA structure
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Common Name | 1-PHENYL-3-(PYRIDIN-3-YLMETHYL)THIOUREA | ||
|---|---|---|---|---|
| CAS Number | 201215-93-2 | Molecular Weight | 243.32700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H13N3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-phenyl-3-(pyridin-3-ylmethyl)thiourea |
|---|---|
| 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.
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.32700 |
| Exact Mass | 243.08300 |
| PSA | 76.08000 |
| LogP | 3.05250 |
| InChIKey | QFHALJZCNJGTFQ-UHFFFAOYSA-N |
| SMILES | S=C(NCc1cccnc1)Nc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933399090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
1-PHENYL-3-(PYR... CAS#:201215-93-2 |
| Literature: Khan, Khalid Mohammed; Naz, Farzana; Taha, Muhammad; Khan, Ajmal; Perveen, Shahnaz; Choudhary; Voelter, Wolfgang European Journal of Medicinal Chemistry, 2014 , vol. 74, p. 314 - 323 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 1 | |
CAS#:13509-38-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. 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: Inhibition of Nampt (unknown origin) using NAM/PRPP as substrate preincubated for 15 ...
Source: ChEMBL
Target: Nicotinamide phosphoribosyltransferase
External Id: CHEMBL2395457
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Name: Cytotoxicity against human A2780 cells after 72 hrs by SRB assay
Source: ChEMBL
Target: A2780
External Id: CHEMBL2395456
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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: 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: Inhibition of jack bean urease using urea as substrate assessed as ammonia production...
Source: ChEMBL
Target: Urease
External Id: CHEMBL3122983
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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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| hms1786p05 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: Polar surface area (PSA) of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is 76.08000. |
| Q: What is the SMILES notation of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: SMILES notation of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is S=C(NCc1cccnc1)Nc1ccccc1. |
| Q: What is the English name of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: The English name of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is 1-phenyl-3-(pyridin-3-ylmethyl)thiourea. |
| Q: What is the molecular formula of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: Molecular formula of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is C13H13N3S. |
| Q: What is the LogP of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: LogP of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is 3.05250. |
| Q: What is the Chinese name of 201215-93-2? |
| A: Chinese name of 201215-93-2 is 201215-93-2. |
| Q: What is the molecular weight of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: Molecular weight of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is 243.32700. |
| Q: What is the InChIKey of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: InChIKey of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea is QFHALJZCNJGTFQ-UHFFFAOYSA-N. |
| Q: What are the downstream products of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: Related downstream products(CAS) of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea: 13509-38-1. |
| Q: What are the upstream materials of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea? |
| A: Related upstream materials(CAS) of 1-phenyl-3-(pyridin-3-ylmethyl)thiourea: 3731-52-0;103-72-0. |
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. |