Molinate
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CAS Number 2212-67-1
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Catalog Number io-2693
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Classification Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts
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Molecular Weight 187.3000
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SMILES CCSC(=O)N1CCCCCC1
| Size | QTY | Notes | |
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Molinate can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).
| 1 | MOLINATE |
| 2 | Ordram |
| 3 | S-Ethyl azepane-1-carbothioate |
| 4 | Jalan |
| 5 | Yalan |
| Molecular Formula | C9H17NOS |
|---|---|
| Canonical SMILES | CCSC(=O)N1CCCCCC1 |
| Isomeric SMILES | CCSC(=O)N1CCCCCC1 |
| Molecular Weight | 187.3000 |
| InChIKey | DEDOPGXGGQYYMW-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3 |
| XLogP | 3.2000 |
| ExactMass | 187.1031 |
| MonoisotopicMass | 187.1031 |
| TPSA | 45.6000 |
| Complexity | 142.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 28305 |
| PatentFamilyCount | 7177 |
| LiteratureCount | 653 |
