benzenedithiol
benzenedithiol structure
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Common Name | benzenedithiol | ||
|---|---|---|---|---|
| CAS Number | 17534-15-5 | Molecular Weight | 142.242 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 239.3±13.0 °C at 760 mmHg | |
| Molecular Formula | C6H6S2 | Melting Point | 22-24 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 103.9±0.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,2-Benzenedithiol |
|---|---|
| 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 | 239.3±13.0 °C at 760 mmHg |
| Melting Point | 22-24 °C(lit.) |
| Molecular Formula | C6H6S2 |
| Molecular Weight | 142.242 |
| Flash Point | 103.9±0.0 °C |
| Exact Mass | 141.991089 |
| PSA | 77.60000 |
| LogP | 2.82 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.666 |
| InChIKey | JRNVQLOKVMWBFR-UHFFFAOYSA-N |
| SMILES | Sc1ccccc1S |
| Storage condition | 2-8°C |
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.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| Packaging Group | III |
| HS Code | 2930909090 |
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 10 | |
CAS#:108-98-5
CAS#:934-36-1
CAS#:85609-04-7
CAS#:70398-84-4
CAS#:62576-04-9
CAS#:95-50-1
CAS#:6461-76-3
CAS#:29690-17-3
CAS#:123-09-1
CAS#:60655-82-5
CAS#:144558-76-9
CAS#:183595-53-1
CAS#:92-85-3
CAS#:2388-68-3
CAS#:54615-64-4
CAS#:6247-55-8
CAS#:36264-19-4![1-bromo-2-[2-bromo-4,5-bis(methylsulfanyl)phenyl]sulfanyl-4,5-bis(methylsulfanyl)benzene structure](https://image.chemsrc.com/caspic/376/138709-32-7.png)
CAS#:138709-32-7
CAS#:112519-98-9This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Investigation of chemically modified barium titanate beads as surface-enhanced Raman scattering (SERS) active substrates for the detection of benzene thiol, 1,2-benzene dithiol, and rhodamine 6G.
Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 79(3) , 456-61, (2011) SERS active surfaces were prepared by depositing silver films using Tollen's reaction on to barium titanate beads. The SERS activity of the resulting surfaces was probed using two thiols (benzene thio... |
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Vibrational markers for the open-shell character of transition metal bis-dithiolenes: an infrared, resonance raman, and quantum chemical study.
J. Am. Chem. Soc. 128(13) , 4422-36, (2006) Transition metal complexes involving the benzene-1,2-dithiol (L(2-)) and Sellmann's 3,5-di-tert-butylbenzene-1,2-dithiol(L(Bu 2-)) ligands have been studied by UV-vis, infrared (IR), and resonance Ram... |
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In vivo and in vitro evaluation of highly specific thiolate carrier group copper(II) and zinc(II) complexes on Ehrlich ascites carcinoma tumor model.
Eur. J. Med. Chem. 45(11) , 5438-51, (2010) A new series of copper(II) and zinc(II) complexes have been designed and synthesized using a new type of Schiff bases derived from the reaction of 3-(3-phenyl-allylidene)-pentane-2,4-dione with para s... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of recombinant bovine liver ARGI at 500 uM using L-arginine as substrate i...
Source: ChEMBL
Target: Arginase-1
External Id: CHEMBL4700005
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2-Benzenedithiol |
| benzenedithiol |
| MFCD00004835 |
| EINECS 241-530-4 |
| Benzene-1,2-dithiol |
| Dithiocatechol |
| 1,2-Dimercaptobenzene |
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 1,2-Benzenedithiol? |
| A: Polar surface area (PSA) of 1,2-Benzenedithiol is 77.60000. |
| Q: What are the upstream materials of 1,2-Benzenedithiol? |
| A: Related upstream materials(CAS) of 1,2-Benzenedithiol: 108-98-5;934-36-1;85609-04-7;70398-84-4;62576-04-9;95-50-1;6461-76-3;29690-17-3;123-09-1;60655-82-5. |
| Q: What is the melting point of 1,2-Benzenedithiol? |
| A: Melting point of 1,2-Benzenedithiol is 22-24 °C(lit.). |
| Q: What is the SMILES notation of 1,2-Benzenedithiol? |
| A: SMILES notation of 1,2-Benzenedithiol is Sc1ccccc1S. |
| Q: What is the boiling point of 1,2-Benzenedithiol? |
| A: Boiling point of 1,2-Benzenedithiol is 239.3±13.0 °C at 760 mmHg. |
| Q: What is the molecular weight of 1,2-Benzenedithiol? |
| A: Molecular weight of 1,2-Benzenedithiol is 142.242. |
| Q: What is the CAS number of 1,2-Benzenedithiol? |
| A: CAS number of 1,2-Benzenedithiol is 17534-15-5. |
| Q: What are the storage conditions for 1,2-Benzenedithiol? |
| A: Storage conditions for 1,2-Benzenedithiol: 2-8°C. |
| Q: What is the InChIKey of 1,2-Benzenedithiol? |
| A: InChIKey of 1,2-Benzenedithiol is JRNVQLOKVMWBFR-UHFFFAOYSA-N. |
| Q: What is the safety information for 1,2-Benzenedithiol? |
| A: Safety information for 1,2-Benzenedithiol: S37/39-S26. |
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. |