2-ethyl-4,5-dihydro-1H-imidazole-5-thiol

C5H10N2S — CID 150065856

IUPAC2-ethyl-4,5-dihydro-1H-imidazole-5-thiol
SMILESCCC1=NCC(S)N1
InChIInChI=1S/C5H10N2S/c1-2-4-6-3-5(8)7-4/h5,8H,2-3H2,1H3,(H,6,7)
InChIKeyDOGNIMMFGPWMDL-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.65
Rot. Bonds1

About 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol

2-ethyl-4,5-dihydro-1H-imidazole-5-thiol (PubChem CID 150065856) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol.

Molecular Properties

Compound Name2-ethyl-4,5-dihydro-1H-imidazole-5-thiol
PubChem CID150065856
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-ethyl-4,5-dihydro-1H-imidazole-5-thiol
SMILESCCC1=NCC(S)N1
InChIInChI=1S/C5H10N2S/c1-2-4-6-3-5(8)7-4/h5,8H,2-3H2,1H3,(H,6,7)
InChIKeyDOGNIMMFGPWMDL-UHFFFAOYSA-N
XLogP0.65
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol?
The IUPAC name of 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol (CID 150065856) is 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol.
What is the SMILES notation for 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol?
The canonical SMILES for 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol is CCC1=NCC(S)N1.
What is the InChIKey of 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol?
The InChIKey is DOGNIMMFGPWMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-2-4-6-3-5(8)7-4/h5,8H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol?
2-ethyl-4,5-dihydro-1H-imidazole-5-thiol has a molecular weight of 130.22 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dihydro-1H-imidazole-5-thiol is sourced from PubChem (CID 150065856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).