RefChem:1100055
(E)-but-2-enedioic acid;1-ethyl-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]thiourea
Also Known As: N-Ethyl-N'-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)thiourea (Z)-2-butenedioate|Thiourea, N-ethyl-N'-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-, (Z)-2-butenedioate|(E)-but-2-enedioic acid; 1-ethyl-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]thiourea
CAS: 86398-71-2
| Molecular Formula | C18H33N3O5S |
|---|---|
| Molecular Weight | 403.21408 g/mol |
| LogP | 1.3192 |
| Topological Polar Surface Area | 111.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.21408 |
| Monoisotopic Mass | 403.21408 |
| Heavy Atoms | 27 |
| Complexity | 463.61755 |
Chemical Identifiers
| CAS Number | 86398-71-2 |
|---|---|
| SMILES | CCNC(=S)NCC(COCC(C)C)N1CCCC1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100055 (CAS 86398-71-2), with molecular formula C18H33N3O5S and molecular weight 403.21408 g/mol. IUPAC: (E)-but-2-enedioic acid;1-ethyl-3-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]thiourea.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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