| CAS Number | 59065-22-4 |
| Catalog Number | AG01DHC2(AGN-PC-00DQ8V) |
| Chemical Name | bis(propylsulfanyl)-2H-1,3-dithiole-2-thione |
| IUPAC Name | 4,5-bis(propylsulfanyl)-1,3-dithiole-2-thione |
| InChI | InChI=1S/C9H14S5/c1-3-5-11-7-8(12-6-4-2)14-9(10)13-7/h3-6H2,1-2H3 |
| InChI Key | JOCHIQADFGNWPA-UHFFFAOYSA-N |
| MDL Number | MFCD00137891 |
| Molecular Formula | C9H14S5 |
| Molecular Weight | 282.5325 |
| SMILES | CCCSc1sc(=S)sc1SCCC |
| Synonyms | 59065-22-4,
4,5-Bis(propylthio)-1,3-dithiole-2-thione,
1,3-Dithiole-2-thione, 4,5-bis(propylthio)-,
CTK1E8232,
DTXSID10470295,
4,5-Bis(propylthio)-1,3-dithiol-2-thione,
CID11666346,
4,5-bis(propylsulfanyl)-1,3-dithiole-2-thione,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.511g/mol |
| Monoisotopic Mass | 281.97g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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