Carbosulfan
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CAS Number 55285-14-8
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Catalog Number io-1932
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Classification Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts
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Molecular Weight 380.5000
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SMILES CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
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Carbosulfan is a member of 1-benzofurans and a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an acaricide, an agrochemical and a nematicide.
| 1 | Carbosulfan |
| 2 | Marshal |
| 3 | Posse |
| 4 | Dibutylaminosulfenylcarbofuran |
| 5 | FMC 35001 |
| Molecular Formula | C20H32N2O3S |
|---|---|
| Canonical SMILES | CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| Isomeric SMILES | CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| Molecular Weight | 380.5000 |
| InChIKey | JLQUFIHWVLZVTJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3 |
| XLogP | 5.7000 |
| ExactMass | 380.2134 |
| MonoisotopicMass | 380.2134 |
| TPSA | 67.3000 |
| Complexity | 439.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 10 |
| HeavyAtomCount | 26 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 34095 |
| PatentFamilyCount | 8667 |
| LiteratureCount | 656 |
