3H-1,2-Dithiole-3-thione,5-phenyl
3H-1,2-Dithiole-3-thione,5-phenyl structure
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Common Name | 3H-1,2-Dithiole-3-thione,5-phenyl | ||
|---|---|---|---|---|
| CAS Number | 3445-76-9 | Molecular Weight | 210.33900 | |
| Density | 1.42g/cm3 | Boiling Point | 363.3ºC at 760mmHg | |
| Molecular Formula | C9H6S3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 173.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-phenyldithiole-3-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 | 1.42g/cm3 |
|---|---|
| Boiling Point | 363.3ºC at 760mmHg |
| Molecular Formula | C9H6S3 |
| Molecular Weight | 210.33900 |
| Flash Point | 173.5ºC |
| Exact Mass | 209.96300 |
| PSA | 88.57000 |
| LogP | 4.20610 |
| Index of Refraction | 1.774 |
| InChIKey | NYJHOCZVKHRRLG-UHFFFAOYSA-N |
| SMILES | S=c1cc(-c2ccccc2)ss1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
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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 8 | |
|---|---|
| DownStream 2 | |
CAS#:827-42-9
CAS#:75-15-0
CAS#:98-86-2
CAS#:94-02-0
CAS#:41054-42-6
CAS#:873-66-5
CAS#:934-32-7
CAS#:43155-30-2
CAS#:87694-19-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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: Increased quinone reductase specific activity
Source: ChEMBL
Target: NAD(P)H dehydrogenase [quinone] 1
External Id: CHEMBL827332
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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: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-phenyl-1,2-dithiole-3-thione |
| phenyltrithione |
| 5-Phenyl-3H-1,2-dithiole-3-thione |
| 3-thioxo-5-phenyl-1,2-dithiole |
| 3H-1,2-Dithiole-3-thione,5-phenyl |
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 5-phenyldithiole-3-thione? |
| A: CAS number of 5-phenyldithiole-3-thione is 3445-76-9. |
| Q: What is the molecular formula of 5-phenyldithiole-3-thione? |
| A: Molecular formula of 5-phenyldithiole-3-thione is C9H6S3. |
| Q: What is the molecular weight of 5-phenyldithiole-3-thione? |
| A: Molecular weight of 5-phenyldithiole-3-thione is 210.33900. |
| Q: What is the Chinese name of 3445-76-9? |
| A: Chinese name of 3445-76-9 is 3445-76-9. |
| Q: What are the downstream products of 5-phenyldithiole-3-thione? |
| A: Related downstream products(CAS) of 5-phenyldithiole-3-thione: 827-42-9;87694-19-7. |
| Q: What English synonyms does 5-phenyldithiole-3-thione have? |
| A: English synonyms of 5-phenyldithiole-3-thione: 5-phenyl-1,2-dithiole-3-thione, phenyltrithione, 5-Phenyl-3H-1,2-dithiole-3-thione, 3-thioxo-5-phenyl-1,2-dithiole, 3H-1,2-Dithiole-3-thione,5-phenyl. |
| Q: What is the SMILES notation of 5-phenyldithiole-3-thione? |
| A: SMILES notation of 5-phenyldithiole-3-thione is S=c1cc(-c2ccccc2)ss1. |
| Q: What is the LogP of 5-phenyldithiole-3-thione? |
| A: LogP of 5-phenyldithiole-3-thione is 4.20610. |
| Q: What is the polar surface area (PSA) of 5-phenyldithiole-3-thione? |
| A: Polar surface area (PSA) of 5-phenyldithiole-3-thione is 88.57000. |
| Q: What is the boiling point of 5-phenyldithiole-3-thione? |
| A: Boiling point of 5-phenyldithiole-3-thione is 363.3ºC at 760mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |