2-Phenylbenzothiazole
2-Phenylbenzothiazole structure
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Common Name | 2-Phenylbenzothiazole | ||
|---|---|---|---|---|
| CAS Number | 883-93-2 | Molecular Weight | 211.282 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 356.9±25.0 °C at 760 mmHg | |
| Molecular Formula | C13H9NS | Melting Point | 111-113 °C(lit.) | |
| MSDS | USA | Flash Point | 174.4±12.1 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Phenylbenzothiazole |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 356.9±25.0 °C at 760 mmHg |
| Melting Point | 111-113 °C(lit.) |
| Molecular Formula | C13H9NS |
| Molecular Weight | 211.282 |
| Flash Point | 174.4±12.1 °C |
| Exact Mass | 211.045563 |
| PSA | 41.13000 |
| LogP | 4.26 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.685 |
| InChIKey | XBHOUXSGHYZCNH-UHFFFAOYSA-N |
| SMILES | c1ccc(-c2nc3ccccc3s2)cc1 |
| Water Solubility | INSOLUBLE |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | 36 |
| Safety Phrases | S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DL5990000 |
| HS Code | 29342080 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 9 | |
CAS#:31230-83-8
CAS#:137-07-5
CAS#:65-85-0
CAS#:100-51-6![Benzo[d]thiazole Structure](https://image.chemsrc.com/caspic/318/95-16-9.png)
CAS#:95-16-9
CAS#:98-80-6
CAS#:100-52-7
CAS#:70787-27-8
CAS#:42152-36-3
CAS#:108-90-7
CAS#:3411-95-8
CAS#:152993-87-8
CAS#:1747-46-2
CAS#:1141-88-4
CAS#:7466-32-2
CAS#:83463-84-7
CAS#:83463-81-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29342080 |
|---|
This table lists relevant public references with title, journal and publication metadata for this compound.
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Novel amidino substituted 2-phenylbenzothiazoles: synthesis, antitumor evaluation in vitro and acute toxicity testing in vivo.
Bioorg. Med. Chem. 18(3) , 1038-44, (2010) The efficient synthesis of new bis-substituted nitro-amidino, amino-amidino (10a, 10b-13a, 13b) and previously prepared diamidino 2-phenyl-benzothiazoles (9a, 9b) is described. The compounds 11a and 1... |
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Design, synthesis and structure-activity relationship of rhenium 2-arylbenzothiazoles as β-amyloid plaque binding agents.
Bioorg. Med. Chem. Lett. 23(6) , 1720-6, (2013) To continue our efforts toward the development of (99m)Tc PiB analogs, we have synthesized 24 neutral and lipophilic Re (as a surrogate of (99m)Tc) 2-arylbenzothiazoles, and explored their structure-a... |
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Iridium(III) complexes with enhanced film amorphism as guests for efficient orange solution-processed single-layer PhOLEDs with low efficiency roll-off.
Dalton Trans. 42(29) , 10559-71, (2013) By introducing a phenyl substituent into the meta-site of the phenyl segment of the 2-phenylbenzothiazole ligand, two novel orange iridium(III) complexes, namely, (3Phbt)2Ir(acac) and (3OMePhbt)2Ir(ac... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antibacterial activity against Salmonella assessed as growth inhibition incubated for...
Source: ChEMBL
Target: Salmonella
External Id: CHEMBL3745117
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Name: Antibacterial activity against Bacillus subtilis assessed as growth inhibition incuba...
Source: ChEMBL
Target: Bacillus subtilis
External Id: CHEMBL3745116
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Name: Antibacterial activity against Escherichia coli assessed as growth inhibition incubat...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL3745115
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Name: Antibacterial activity against Staphylococcus aureus assessed as growth inhibition in...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL3745114
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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: Stability of the compound in GSH at 10'-5 M after 48 hrs by UV-vis spectroscopic anal...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3745118
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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: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: Antiproliferative activity against human HeLa cells assessed as growth inhibition at ...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4773333
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Phenylbenzothiazole |
| MFCD00005777 |
| EINECS 212-935-3 |
| 2-Phenyl-1,3-benzothiazole |
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 2-Phenylbenzothiazole? |
| A: The English name of 2-Phenylbenzothiazole is 2-Phenylbenzothiazole. |
| Q: What is the molecular formula of 2-Phenylbenzothiazole? |
| A: Molecular formula of 2-Phenylbenzothiazole is C13H9NS. |
| Q: How is the water solubility of 2-Phenylbenzothiazole? |
| A: Water solubility of 2-Phenylbenzothiazole: INSOLUBLE. |
| Q: What is the CAS number of 2-Phenylbenzothiazole? |
| A: CAS number of 2-Phenylbenzothiazole is 883-93-2. |
| Q: What are the downstream products of 2-Phenylbenzothiazole? |
| A: Related downstream products(CAS) of 2-Phenylbenzothiazole: 3411-95-8;152993-87-8;1747-46-2;1141-88-4;137-07-5;65-85-0;7466-32-2;83463-84-7;83463-81-4. |
| Q: What is the InChIKey of 2-Phenylbenzothiazole? |
| A: InChIKey of 2-Phenylbenzothiazole is XBHOUXSGHYZCNH-UHFFFAOYSA-N. |
| Q: What is the melting point of 2-Phenylbenzothiazole? |
| A: Melting point of 2-Phenylbenzothiazole is 111-113 °C(lit.). |
| Q: What is the polar surface area (PSA) of 2-Phenylbenzothiazole? |
| A: Polar surface area (PSA) of 2-Phenylbenzothiazole is 41.13000. |
| Q: What is the SMILES notation of 2-Phenylbenzothiazole? |
| A: SMILES notation of 2-Phenylbenzothiazole is c1ccc(-c2nc3ccccc3s2)cc1. |
| Q: What is the LogP of 2-Phenylbenzothiazole? |
| A: LogP of 2-Phenylbenzothiazole is 4.26. |
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. |