Basic information
- CAS
30826-80-3- Standard SMILES
CCN1CCN(CC)C1=S- InChIKey
VLAZWTFELFNZTO-UHFFFAOYSA-N- Molecular formula
- C7H14N2S
- Average molar mass
- 158.27 g/mol
- Monoisotopic mass
- 158.08776963
Names & identifiers
- Preferred name
- 1,3-Diethyl-2-imidazolidinethione
- IUPAC
- 1,3-diethylimidazolidine-2-thione
- English name
- 1,3-Diethylimidazolidine-2-thione
- Molecular formula
- C7H14N2S
- Molecular weight
- 158.26
Names & synonyms
1,3-diethylimidazolidine-2-thione1,3-Diethyl-2-imidazolidinethione30826-80-3N,N'-DiethylethylenethioureaN,N'-Diethylimidazolidine-2-thione2-IMIDAZOLIDINETHIONE, 1,3-DIETHYL-UNII-K1R72K8LXVK1R72K8LXVNSC 186242BRN 0114784NSC-186242DTXSID50184824
Show more names
5-24-01-00174 (Beilstein Handbook Reference)RefChem:72656DTXCID90107315NSC186242CHEMBL12168SCHEMBL43656222-Imidazolidinethione,3-diethyl-2-Imidazolidinethione, 1,3-diethyl- (8CI9CI)
Database identifiers
- CAS
30826-80-3- PubChem CID
- 35526
- DTXSID
DTXSID50184824- ChEMBL
CHEMBL12168- UNII
- K1R72K8LXV
- Nikkaji
- J40.908A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
LogP1.13
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 305.7 · 305.7±9.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 1.54 · 1.54±0.20(Predicted)
- FDA UNII
- 1 R72K8LXV · K1R72K8LXV
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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