14970-87-7
Product Name:
3,6-DIOXA-1,8-OCTANEDITHIOL
Formula:
C6H14O2S2
Synonyms:
1,2-Bis(2-mercaptoethoxy)ethane;3,6-Dioxa-1,8-octane-dithiol
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H332:Acute toxicity,inhalation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 182.3 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 182.04352203 g/mol |
| Monoisotopic Mass | 182.04352203 g/mol |
| Topological Polar Surface Area | 20.5 Ų |
| 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 |
| Compound Is Canonicalized | Yes |
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