1,2-dimethyl-4-methylsulfinylimidazole

C6H10N2OS — CID 10558902

IUPAC1,2-dimethyl-4-methylsulfinylimidazole
SMILESCc1nc(S(C)=O)cn1C
InChIInChI=1S/C6H10N2OS/c1-5-7-6(10(3)9)4-8(5)2/h4H,1-3H3
InChIKeyBEIHYIPCMOZMDX-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.47
Rot. Bonds1

About 1,2-dimethyl-4-methylsulfinylimidazole

1,2-dimethyl-4-methylsulfinylimidazole (PubChem CID 10558902) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1,2-dimethyl-4-methylsulfinylimidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-methylsulfinylimidazole
PubChem CID10558902
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1,2-dimethyl-4-methylsulfinylimidazole
SMILESCc1nc(S(C)=O)cn1C
InChIInChI=1S/C6H10N2OS/c1-5-7-6(10(3)9)4-8(5)2/h4H,1-3H3
InChIKeyBEIHYIPCMOZMDX-UHFFFAOYSA-N
XLogP0.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-methylsulfinylimidazole?
The IUPAC name of 1,2-dimethyl-4-methylsulfinylimidazole (CID 10558902) is 1,2-dimethyl-4-methylsulfinylimidazole.
What is the SMILES notation for 1,2-dimethyl-4-methylsulfinylimidazole?
The canonical SMILES for 1,2-dimethyl-4-methylsulfinylimidazole is Cc1nc(S(C)=O)cn1C.
What is the InChIKey of 1,2-dimethyl-4-methylsulfinylimidazole?
The InChIKey is BEIHYIPCMOZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-5-7-6(10(3)9)4-8(5)2/h4H,1-3H3.
What are the key properties of 1,2-dimethyl-4-methylsulfinylimidazole?
1,2-dimethyl-4-methylsulfinylimidazole has a molecular weight of 158.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-methylsulfinylimidazole is sourced from PubChem (CID 10558902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).