4-(4-Bromophenyl)-2-thiazolethiol
4-(4-Bromophenyl)-2-thiazolethiol structure
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Common Name | 4-(4-Bromophenyl)-2-thiazolethiol | ||
|---|---|---|---|---|
| CAS Number | 2103-95-9 | Molecular Weight | 272.18500 | |
| Density | 1.768g/cm3 | Boiling Point | 376.2ºC at 760 mmHg | |
| Molecular Formula | C9H6BrNS2 | Melting Point | 220-224ºC | |
| MSDS | Chinese USA | Flash Point | 181.32ºC | |
| Symbol |
GHS05, GHS06 |
Signal Word | Danger | |
Summary: 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione (CAS: 2103-95-9), molecular formula C9H6BrNS2, molecular weight 272.18500, 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-(4-bromophenyl)-3H-1,3-thiazole-2-thione |
|---|---|
| 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 | 1.768g/cm3 |
|---|---|
| Boiling Point | 376.2ºC at 760 mmHg |
| Melting Point | 220-224ºC |
| Molecular Formula | C9H6BrNS2 |
| Molecular Weight | 272.18500 |
| Flash Point | 181.32ºC |
| Exact Mass | 270.91300 |
| PSA | 79.93000 |
| LogP | 3.86130 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.783 |
| InChIKey | QNNMMIMBOFCDQK-UHFFFAOYSA-N |
| SMILES | S=c1[nH]c(-c2ccc(Br)cc2)cs1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H318-H335 |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 22-37/38-41 |
| Safety Phrases | 26-39 |
| RIDADR | UN 2811 6.1/PG 3 |
| HS Code | 2934100090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
CAS#:513-74-6
CAS#:99-73-0
CAS#:99-90-1
CAS#:65679-14-3![[2-(4-bromophenyl)-2-oxoethyl] 4-methylbenzenesulfonate Structure](https://image.chemsrc.com/caspic/391/98475-05-9.png)
CAS#:98475-05-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934100090 |
|---|---|
| Summary | 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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 human IDO1 at 10 uM pre-incubated for 10 mins before L-Trp as substrate...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL4056588
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|
Name: Inhibition of human IDO1 at 100 uM pre-incubated for 10 mins before L-Trp as substrat...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL4056587
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-(p-Bromophenyl)-2-mercaptothiazole |
| 2-Mercapto-4-(p-bromophenyl)thiazole |
| 4-(4'-bromophenyl)-2-mercaptothiazole |
| 4-(4-Bromophenyl)-2-thiazolethiol |
| 4-(4-BROMOPHENYL)-1,3-THIAZOLE-2-THIOL |
| 4-(4-Bromophenyl)-2(3H)-thiazolethione |
| 2-mercapto-4-(4-bromophenyl)thiazole |
| 4-(4-bromo-phenyl)-3H-thiazole-2-thione |
| 2-Thiazolethiol,4-(p-bromophenyl)-(7CI,8CI) |
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-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: Polar surface area (PSA) of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is 79.93000. |
| Q: What is the SMILES notation of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: SMILES notation of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is S=c1[nH]c(-c2ccc(Br)cc2)cs1. |
| Q: What is the melting point of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: Melting point of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is 220-224ºC. |
| Q: What is the InChIKey of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: InChIKey of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is QNNMMIMBOFCDQK-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: Molecular weight of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is 272.18500. |
| Q: What is the LogP of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: LogP of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is 3.86130. |
| Q: What is the safety information for 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: Safety information for 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione: 26-39. |
| Q: What is the molecular formula of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: Molecular formula of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione is C9H6BrNS2. |
| Q: What are the upstream materials of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione? |
| A: Related upstream materials(CAS) of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione: 513-74-6;99-73-0;99-90-1;65679-14-3;98475-05-9. |
| Q: What English synonyms does 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione have? |
| A: English synonyms of 4-(4-bromophenyl)-3H-1,3-thiazole-2-thione: 4-(p-Bromophenyl)-2-mercaptothiazole, 2-Mercapto-4-(p-bromophenyl)thiazole, 4-(4'-bromophenyl)-2-mercaptothiazole, 4-(4-Bromophenyl)-2-thiazolethiol, 4-(4-BROMOPHENYL)-1,3-THIAZOLE-2-THIOL, 4-(4-Bromophenyl)-2(3H)-thiazolethione, 2-mercapto-4-(4-bromophenyl)thiazole, 4-(4-bromo-phenyl)-3H-thiazole-2-thione, 2-Thiazolethiol,4-(p-bromophenyl)-(7CI,8CI). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |