5-(1,3-dithian-2-yl)-1-methylimidazole

C8H12N2S2 — CID 19801340

IUPAC5-(1,3-dithian-2-yl)-1-methylimidazole
SMILESCn1cncc1C1SCCCS1
InChIInChI=1S/C8H12N2S2/c1-10-6-9-5-7(10)8-11-3-2-4-12-8/h5-6,8H,2-4H2,1H3
InChIKeyQGLPHLVMGILNIG-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.29
Rot. Bonds1

About 5-(1,3-dithian-2-yl)-1-methylimidazole

5-(1,3-dithian-2-yl)-1-methylimidazole (PubChem CID 19801340) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-(1,3-dithian-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name5-(1,3-dithian-2-yl)-1-methylimidazole
PubChem CID19801340
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name5-(1,3-dithian-2-yl)-1-methylimidazole
SMILESCn1cncc1C1SCCCS1
InChIInChI=1S/C8H12N2S2/c1-10-6-9-5-7(10)8-11-3-2-4-12-8/h5-6,8H,2-4H2,1H3
InChIKeyQGLPHLVMGILNIG-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dithian-2-yl)-1-methylimidazole?
The IUPAC name of 5-(1,3-dithian-2-yl)-1-methylimidazole (CID 19801340) is 5-(1,3-dithian-2-yl)-1-methylimidazole.
What is the SMILES notation for 5-(1,3-dithian-2-yl)-1-methylimidazole?
The canonical SMILES for 5-(1,3-dithian-2-yl)-1-methylimidazole is Cn1cncc1C1SCCCS1.
What is the InChIKey of 5-(1,3-dithian-2-yl)-1-methylimidazole?
The InChIKey is QGLPHLVMGILNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-10-6-9-5-7(10)8-11-3-2-4-12-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 5-(1,3-dithian-2-yl)-1-methylimidazole?
5-(1,3-dithian-2-yl)-1-methylimidazole has a molecular weight of 200.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dithian-2-yl)-1-methylimidazole is sourced from PubChem (CID 19801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).