2-propyl-1-sulfanyl-4H-imidazol-5-one

C6H10N2OS — CID 22027206

IUPAC2-propyl-1-sulfanyl-4H-imidazol-5-one
SMILESCCCC1=NCC(=O)N1S
InChIInChI=1S/C6H10N2OS/c1-2-3-5-7-4-6(9)8(5)10/h10H,2-4H2,1H3
InChIKeyPWLCHMWZECZUCZ-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.87
Rot. Bonds2

About 2-propyl-1-sulfanyl-4H-imidazol-5-one

2-propyl-1-sulfanyl-4H-imidazol-5-one (PubChem CID 22027206) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-propyl-1-sulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-propyl-1-sulfanyl-4H-imidazol-5-one
PubChem CID22027206
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-propyl-1-sulfanyl-4H-imidazol-5-one
SMILESCCCC1=NCC(=O)N1S
InChIInChI=1S/C6H10N2OS/c1-2-3-5-7-4-6(9)8(5)10/h10H,2-4H2,1H3
InChIKeyPWLCHMWZECZUCZ-UHFFFAOYSA-N
XLogP0.87
TPSA32.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
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-propyl-1-sulfanyl-4H-imidazol-5-one?
The IUPAC name of 2-propyl-1-sulfanyl-4H-imidazol-5-one (CID 22027206) is 2-propyl-1-sulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 2-propyl-1-sulfanyl-4H-imidazol-5-one?
The canonical SMILES for 2-propyl-1-sulfanyl-4H-imidazol-5-one is CCCC1=NCC(=O)N1S.
What is the InChIKey of 2-propyl-1-sulfanyl-4H-imidazol-5-one?
The InChIKey is PWLCHMWZECZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-3-5-7-4-6(9)8(5)10/h10H,2-4H2,1H3.
What are the key properties of 2-propyl-1-sulfanyl-4H-imidazol-5-one?
2-propyl-1-sulfanyl-4H-imidazol-5-one has a molecular weight of 158.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-sulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 22027206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).