2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one

C9H14N2OS2 — CID 106951790

IUPAC2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one
SMILESCCC1SCCSC1C1=NCC(=O)N1
InChIInChI=1S/C9H14N2OS2/c1-2-6-8(14-4-3-13-6)9-10-5-7(12)11-9/h6,8H,2-5H2,1H3,(H,10,11,12)
InChIKeyCZUSJKRJJKVVRG-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.14
Rot. Bonds2

About 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one

2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one (PubChem CID 106951790) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one
PubChem CID106951790
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one
SMILESCCC1SCCSC1C1=NCC(=O)N1
InChIInChI=1S/C9H14N2OS2/c1-2-6-8(14-4-3-13-6)9-10-5-7(12)11-9/h6,8H,2-5H2,1H3,(H,10,11,12)
InChIKeyCZUSJKRJJKVVRG-UHFFFAOYSA-N
XLogP1.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one (CID 106951790) is 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one is CCC1SCCSC1C1=NCC(=O)N1.
What is the InChIKey of 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is CZUSJKRJJKVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-2-6-8(14-4-3-13-6)9-10-5-7(12)11-9/h6,8H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one?
2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 230.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,4-dithian-2-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).