2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole

C9H10N2O2S2 — CID 70419813

IUPAC2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole
SMILESCOc1cc(S(C)=O)sc1-c1ncc[nH]1
InChIInChI=1S/C9H10N2O2S2/c1-13-6-5-7(15(2)12)14-8(6)9-10-3-4-11-9/h3-5H,1-2H3,(H,10,11)
InChIKeyKYBDTFXOVMCDMH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.88
Rot. Bonds3

About 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole

2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole (PubChem CID 70419813) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole
PubChem CID70419813
Molecular FormulaC9H10N2O2S2
Molecular Weight242.32 g/mol
Exact Mass242.02
IUPAC Name2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole
SMILESCOc1cc(S(C)=O)sc1-c1ncc[nH]1
InChIInChI=1S/C9H10N2O2S2/c1-13-6-5-7(15(2)12)14-8(6)9-10-3-4-11-9/h3-5H,1-2H3,(H,10,11)
InChIKeyKYBDTFXOVMCDMH-UHFFFAOYSA-N
XLogP1.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole?
The IUPAC name of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole (CID 70419813) is 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole?
The canonical SMILES for 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole is COc1cc(S(C)=O)sc1-c1ncc[nH]1.
What is the InChIKey of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole?
The InChIKey is KYBDTFXOVMCDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-13-6-5-7(15(2)12)14-8(6)9-10-3-4-11-9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole?
2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole has a molecular weight of 242.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole is sourced from PubChem (CID 70419813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).