S,S,S-Tributyltrithiophosphate
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CAS Number 78-48-8
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Catalog Number io-3135
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Classification Esters
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Molecular Weight 314.5000
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SMILES CCCCSP(=O)(SCCCC)SCCCC
| Size | QTY | Notes | |
|---|---|---|---|
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S,S,S-Tributyl phosphorotrithioate (Tribufos, DEF) can cause cancer according to The Environmental Protection Agency (EPA).
| 1 | Tribufos |
| 2 | Butifos |
| 3 | Butyl phosphorotrithioate |
| 4 | DEF defoliant |
| 5 | S,S,S-TRIBUTYL PHOSPHOROTRITHIOATE |
| Molecular Formula | C12H27OPS3 |
|---|---|
| Canonical SMILES | CCCCSP(=O)(SCCCC)SCCCC |
| Isomeric SMILES | CCCCSP(=O)(SCCCC)SCCCC |
| Molecular Weight | 314.5000 |
| InChIKey | ZOKXUAHZSKEQSS-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3 |
| XLogP | 3.2000 |
| ExactMass | 314.0962 |
| MonoisotopicMass | 314.0962 |
| TPSA | 93.0000 |
| Complexity | 179.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 7277 |
| PatentFamilyCount | 1990 |
| LiteratureCount | 510 |
