Pebulate
-
CAS Number 1114-71-2
-
Catalog Number io-2806
-
Classification Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts
-
Molecular Weight 203.3500
-
SMILES CCCCN(CC)C(=O)SCCC
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
Pebulate is a tertiary amine.
| 1 | PEBULATE |
| 2 | Pebulat |
| 3 | Tillam |
| 4 | Tillam-6-E |
| 5 | PEBC |
| Molecular Formula | C10H21NOS |
|---|---|
| Canonical SMILES | CCCCN(CC)C(=O)SCCC |
| Isomeric SMILES | CCCCN(CC)C(=O)SCCC |
| Molecular Weight | 203.3500 |
| InChIKey | SGEJQUSYQTVSIU-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3 |
| XLogP | 3.8000 |
| ExactMass | 203.1344 |
| MonoisotopicMass | 203.1344 |
| TPSA | 45.6000 |
| Complexity | 139.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14208 |
| PatentFamilyCount | 3244 |
| LiteratureCount | 157 |
