| CAS Number | 106920-25-6 |
| Catalog Number | AG01DTMQ(AGN-PC-0NWHYE) |
| Chemical Name | bis(pentylsulfanyl)-2H-1,3-dithiole-2-thione |
| IUPAC Name | 4,5-bis(pentylsulfanyl)-1,3-dithiole-2-thione |
| InChI | InChI=1S/C13H22S5/c1-3-5-7-9-15-11-12(18-13(14)17-11)16-10-8-6-4-2/h3-10H2,1-2H3 |
| InChI Key | GAACZRORIJWJPY-UHFFFAOYSA-N |
| MDL Number | MFCD00137893 |
| Molecular Formula | C13H22S5 |
| Molecular Weight | 338.6388 |
| SMILES | CCCCCSc1sc(=S)sc1SCCCCC |
| Synonyms | 4,5-Bis(pentylthio)-1,3-dithiole-2-thione,
106920-25-6,
SCHEMBL2562514,
GAACZRORIJWJPY-UHFFFAOYSA-N,
4,5-Bis(pentylthio)-1,3-dithiol-2-thione,
4,5-bis(n-pentylthio)-1,3-dithiole-2-thione,
1,3-Dithiole-2-thione, 4,5-bis(pentylthio)-,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.619g/mol |
| Monoisotopic Mass | 338.033g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7 |
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Certificate of Analysis
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