CAS 505-23-7|1,3-Dithiane
| Common Name | 1,3-Dithiane | ||
|---|---|---|---|
| CAS Number | 505-23-7 | Molecular Weight | 120.236 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 195.0±23.0 °C at 760 mmHg |
| Molecular Formula | C4H8S2 | Melting Point | 52-54 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 90.6±0.0 °C |
Names
| Name | 1,3-dithiane |
|---|---|
| Synonym | More Synonyms |
1,3-Dithiane BiologicalActivity
| Description | 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. |
|---|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
| Target | Human Endogenous Metabolite |
| References | [1]. Lee H, et al. Genotoxicity of 1,3-dithiane and 1,4-dithiane in the CHO/SCE assay and the Salmonella/microsomal test. Mutat Res. 1994 Jun;321(4):213-8. [2]. Martinez RA, et al. Synthesis of isotopically labeled 1,3-dithiane. J Labelled Comp Radiopharm. 2014 May 15;57(5):338-41. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.0±23.0 °C at 760 mmHg |
| Melting Point | 52-54 °C(lit.) |
| Molecular Formula | C4H8S2 |
| Molecular Weight | 120.236 |
| Flash Point | 90.6±0.0 °C |
| Exact Mass | 120.006737 |
| PSA | 50.60000 |
| LogP | 1.14 |
| Vapour Pressure | 0.6±0.4 mmHg at 25°C |
| Index of Refraction | 1.574 |
| InChIKey | WQADWIOXOXRPLN-UHFFFAOYSA-N |
| SMILES | C1CSCSC1 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 80 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 80 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | 20/21/22 |
| Safety Phrases | S22-S24/25 |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| RTECS | JO5070000 |
| Packaging Group | III |
| Hazard Class | 4.1 |
| HS Code | 29349990 |
Customs
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles12
More Articles| Genotoxicity of 1,3-dithiane and 1,4-dithiane in the CHO/SCE assay and the Salmonella/microsomal test. Mutat. Res. 321(4) , 213-8, (1994) 1,3-Dithiane and 1,4-dithiane are the sulfur-containing Maillard reaction products (MRPs) which have been found in boiled beef extracts. In this study the genotoxicity of these products was examined u... | |
| Synthesis and applications of masked oxo-sulfinamides in asymmetric synthesis. Org. Biomol. Chem. 10(26) , 5021-31, (2012) This short perspective reports on the synthesis and applications of a class of chiral amino carbonyl compounds, masked oxo-sulfinamides where the amine is protected with an N-sulfinyl moiety and the c... | |
| Au(PPh(3))Cl-AgSbF(6)-catalyzed rearrangement of propargylic 1,3-dithianes: formation of 8-membered 1,3-bisthio-substituted cyclic allenes. Chem. Commun. (Camb.) (18) , 2535-7, (2009) Au(PPh(3))Cl-AgSbF(6)-catalyzed rearrangement of propargylic 1,3-dithiane leads to the formation of 8-membered dithio-substituted cyclic allenes, which are remarkably stable. |
Synonyms
| Dithiane-1,3 |
| 1,3-Dithiacyclohexane |
| 1,3-dithaine |
| EINECS 208-006-7 |
| META-DITHIANE |
| [1,3]dithiane |
| 1,3-Dithian |
| 1,3-dihtiane |
| M-DITHIANE |
| 1,3-Dithiane |
| 1,3-Dithane |
| MFCD00006654 |
