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CAS NO.5244-34-8
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| 3,6-Dithia-1,8-octanediol Basic information |
| Product Name: | 3,6-Dithia-1,8-octanediol |
| Synonyms: | 1,10-Dioxa-4,7-dithiadecane;1,2-Bis(beta-hydroxyethylthio)ethane;1,2-Bis(b-hydroxyethylthio)ethane;1,8-Dihydroxy-3,6-dithiooctane;1,8-Dihydroxy-3,6-octanedithione;2-((2-[(2-Hydroxyethyl)sulfanyl]ethyl)sulfanyl)ethanol;2,2'-[1,2-Ethanediylbis(thio)]bisethanol;2,2’-[1,2-ethanediylbis(thio)]bis-ethano |
| CAS: | 5244-34-8 |
| MF: | C6H14O2S2 |
| MW: | 182.3 |
| EINECS: | 226-045-8 |
| Product Categories: | FINE Chemical & INTERMEDIATES;BUILDING BLOCKS;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Polyols |
| Mol File: | 5244-34-8.mol |
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| 3,6-Dithia-1,8-octanediol Chemical Properties |
| mp | 63-64 °C(lit.) |
| bp | 170 °C0.5 mm Hg(lit.) |
| Fp | 170°C/1.3mm |
| BRN | 1739193 |
| CAS DataBase Reference | 5244-34-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Ethanol, 2,2'-[1,2-ethanediylbis(thio)]bis-(5244-34-8) |
| EPA Substance Registry System | Ethanol, 2,2'-[1,2-ethanediylbis( thio)]bis-(5244-34-8) |
| Safety Information |
| Safety Statements | 22-24/25 |
| WGK Germany | 1 |
| HS Code | 29309070 |
| Molecular Weight | 182.30416 g/mol |
|---|---|
| Molecular Formula | C6H14O2S2 |
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 182.043522 g/mol |
| Monoisotopic Mass | 182.043522 g/mol |
| Topological Polar Surface Area | 91.1 A^2 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 53.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |