4-(1,3-Benzothiazol-2-ylmethyl)aniline
4-(1,3-Benzothiazol-2-ylmethyl)aniline structure
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Common Name | 4-(1,3-Benzothiazol-2-ylmethyl)aniline | ||
|---|---|---|---|---|
| CAS Number | 37859-28-2 | Molecular Weight | 240.32300 | |
| Density | 1.278g/cm3 | Boiling Point | 439.9ºC at 760 mmHg | |
| Molecular Formula | C14H12N2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 219.8ºC | |
Summary: 4-(1,3-Benzothiazol-2-ylmethyl)aniline (CAS number: 37859-28-2), molecular formula: C14H12N2S, molecular weight: 240.32300. 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 | 4-(1,3-Benzothiazol-2-ylmethyl)aniline |
|---|---|
| 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 | 1.278g/cm3 |
|---|---|
| Boiling Point | 439.9ºC at 760 mmHg |
| Molecular Formula | C14H12N2S |
| Molecular Weight | 240.32300 |
| Flash Point | 219.8ºC |
| Exact Mass | 240.07200 |
| PSA | 67.15000 |
| LogP | 4.05050 |
| Index of Refraction | 1.718 |
| InChIKey | GUUPKXREMJGASF-UHFFFAOYSA-N |
| SMILES | Nc1ccc(Cc2nc3ccccc3s2)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934200090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~60%
4-(1,3-Benzothi... CAS#:37859-28-2 |
| Literature: Keri, Rangappa S.; Quintanova, Catarina; Marques, Sergio M.; Esteves, A. Raquel; Cardoso, Sandra M.; Santos, M. Amelia Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 15 p. 4559 - 4569 |
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~51%
4-(1,3-Benzothi... CAS#:37859-28-2 |
| Literature: Nunes, Andreia; Marques, Sergio M.; Quintanova, Catarina; Silva, Diana F.; Cardoso, Sandra M.; Chaves, Silvia; Santos, M. Amelia Dalton Transactions, 2013 , vol. 42, # 17 p. 6058 - 6073 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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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 | 2934200090 |
|---|---|
| Summary | 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. 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 the Burkholderia mallei acyl-homoserine lactone synthase BmaI1
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: autoinducer synthetase family protein [Burkholderia mallei ATCC 23344]
External Id: HMS1126
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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: 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.
| 4-benzothiazol-2-ylmethyl-aniline |
| 2-(4-Aminobenzyl)benzothiazole |
| 4-(benzo[d]thiazol-2-ylmethyl)aniline |
| HMS1728K02 |
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 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: Polar surface area (PSA) of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is 67.15000. |
| Q: What is the CAS number of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: CAS number of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is 37859-28-2. |
| Q: What is the LogP of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: LogP of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is 4.05050. |
| Q: What is the SMILES notation of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: SMILES notation of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is Nc1ccc(Cc2nc3ccccc3s2)cc1. |
| Q: What is the molecular weight of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: Molecular weight of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is 240.32300. |
| Q: What is the English name of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: The English name of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is 4-(1,3-Benzothiazol-2-ylmethyl)aniline. |
| Q: What English synonyms does 4-(1,3-Benzothiazol-2-ylmethyl)aniline have? |
| A: English synonyms of 4-(1,3-Benzothiazol-2-ylmethyl)aniline: 4-benzothiazol-2-ylmethyl-aniline, 2-(4-Aminobenzyl)benzothiazole, 4-(benzo[d]thiazol-2-ylmethyl)aniline, HMS1728K02. |
| Q: What are the upstream materials of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: Related upstream materials(CAS) of 4-(1,3-Benzothiazol-2-ylmethyl)aniline: 1197-55-3;137-07-5;150-13-0. |
| Q: What is the InChIKey of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: InChIKey of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is GUUPKXREMJGASF-UHFFFAOYSA-N. |
| Q: What is the boiling point of 4-(1,3-Benzothiazol-2-ylmethyl)aniline? |
| A: Boiling point of 4-(1,3-Benzothiazol-2-ylmethyl)aniline is 439.9ºC at 760 mmHg. |
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. |