3-(4-bromophenyl)-2-cyanoprop-2-enethioamide
3-(4-bromophenyl)-2-cyanoprop-2-enethioamide structure
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Common Name | 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide | ||
|---|---|---|---|---|
| CAS Number | 68029-54-9 | Molecular Weight | 267.14500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H7BrN2S | 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 | 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide |
|---|---|
| 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 | C10H7BrN2S |
|---|---|
| Molecular Weight | 267.14500 |
| Exact Mass | 265.95100 |
| PSA | 81.90000 |
| LogP | 3.34248 |
| InChIKey | JOJTVFIVYQYWGX-VMPITWQZSA-N |
| SMILES | N#CC(=Cc1ccc(Br)cc1)C(N)=S |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 1 | |
CAS#:125219-60-5This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled ...
Source: ChEMBL
Target: Tyrosyl-DNA phosphodiesterase 1
External Id: CHEMBL2174994
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-bromobenzylidenecyanothioacetamide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: CAS number of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is 68029-54-9. |
| Q: What are the downstream products of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: Related downstream products(CAS) of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide: 125219-60-5. |
| Q: What is the SMILES notation of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: SMILES notation of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is N#CC(=Cc1ccc(Br)cc1)C(N)=S. |
| Q: What is the molecular formula of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: Molecular formula of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is C10H7BrN2S. |
| Q: What is the Chinese name of 68029-54-9? |
| A: Chinese name of 68029-54-9 is 68029-54-9. |
| Q: What English synonyms does 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide have? |
| A: English synonyms of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide: 4-bromobenzylidenecyanothioacetamide. |
| Q: What is the LogP of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: LogP of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is 3.34248. |
| Q: What is the English name of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: The English name of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide. |
| Q: What is the polar surface area (PSA) of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: Polar surface area (PSA) of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is 81.90000. |
| Q: What is the InChIKey of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide? |
| A: InChIKey of 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide is JOJTVFIVYQYWGX-VMPITWQZSA-N. |