4-benzothiazol-2-ylsulfanylbutanoate
4-benzothiazol-2-ylsulfanylbutanoate structure
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Common Name | 4-benzothiazol-2-ylsulfanylbutanoate | ||
|---|---|---|---|---|
| CAS Number | 80357-74-0 | Molecular Weight | 253.34100 | |
| Density | 1.39g/cm3 | Boiling Point | 461.6ºC at 760 mmHg | |
| Molecular Formula | C11H11NO2S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 233ºC | |
Summary: 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid (Chinese name: 4-(苯并噻唑-2-磺酰基)-丁酸，CAS number: 80357-74-0，molecular formula: C11H11NO2S2，molecular weight: 253.34100)，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-ylsulfanyl)butanoic acid |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.39g/cm3 |
|---|---|
| Boiling Point | 461.6ºC at 760 mmHg |
| Molecular Formula | C11H11NO2S2 |
| Molecular Weight | 253.34100 |
| Flash Point | 233ºC |
| Exact Mass | 253.02300 |
| PSA | 103.73000 |
| LogP | 3.25320 |
| Index of Refraction | 1.678 |
| InChIKey | VLBFSFGWNXSNRM-UHFFFAOYSA-N |
| SMILES | O=C(O)CCCSc1nc2ccccc2s1 |
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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~68%
4-benzothiazol-... CAS#:80357-74-0 |
| Literature: Hammam, Abou El-Fotooh G.; Youssif, Nabil M. Journal of Chemical & Engineering Data, 1982 , vol. 27, # 2 p. 207 - 208 |
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 | 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: Assays to identify small molecules inhibitory for eIF4E expression
Source: 13133
Target: N/A
External Id: 20160513eIF4E
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Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
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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: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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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: 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 section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: The English name of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid. |
| Q: What is the LogP of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: LogP of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is 3.25320. |
| Q: What is the boiling point of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: Boiling point of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is 461.6ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: Polar surface area (PSA) of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is 103.73000. |
| Q: What is the SMILES notation of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: SMILES notation of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is O=C(O)CCCSc1nc2ccccc2s1. |
| Q: What is the molecular weight of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: Molecular weight of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is 253.34100. |
| Q: What is the molecular formula of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: Molecular formula of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is C11H11NO2S2. |
| Q: What is the CAS number of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: CAS number of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is 80357-74-0. |
| Q: What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid is VLBFSFGWNXSNRM-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid? |
| A: Related upstream materials(CAS) of 4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid: 96-48-0;149-30-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |