Carbamothioic acid, dipropyl-, S- (phenylmethyl) ester
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CAS Number 52888-80-9
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Catalog Number io-1917
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Classification Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts
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Molecular Weight 251.3900
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SMILES CCCN(CCC)C(=O)SCC1=CC=CC=C1
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Prosulfocarb is a monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of benzenes and a monothiocarbamic ester.
| 1 | Prosulfocarb |
| 2 | S-Benzyl dipropylthiocarbamate |
| 3 | Prosulfocarb [ISO] |
| 4 | S-benzyl dipropylcarbamothioate |
| 5 | S-(Phenylmethyl) dipropylcarbamothioate |
| Molecular Formula | C14H21NOS |
|---|---|
| Canonical SMILES | CCCN(CCC)C(=O)SCC1=CC=CC=C1 |
| Isomeric SMILES | CCCN(CCC)C(=O)SCC1=CC=CC=C1 |
| Molecular Weight | 251.3900 |
| InChIKey | NQLVQOSNDJXLKG-UHFFFAOYSA-N |
| InChI | InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 |
| XLogP | 3.9000 |
| ExactMass | 251.1344 |
| MonoisotopicMass | 251.1344 |
| TPSA | 45.6000 |
| Complexity | 208.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 26214 |
| PatentFamilyCount | 6660 |
| LiteratureCount | 118 |
