1-methyl-2-methylsulfinylimidazole

C5H8N2OS — CID 3009058

IUPAC1-methyl-2-methylsulfinylimidazole
SMILESCn1ccnc1S(C)=O
InChIInChI=1S/C5H8N2OS/c1-7-4-3-6-5(7)9(2)8/h3-4H,1-2H3
InChIKeySYZHBDIUGGHYNU-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.16
Rot. Bonds1

About 1-methyl-2-methylsulfinylimidazole

1-methyl-2-methylsulfinylimidazole (PubChem CID 3009058) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-methyl-2-methylsulfinylimidazole.

Molecular Properties

Compound Name1-methyl-2-methylsulfinylimidazole
PubChem CID3009058
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name1-methyl-2-methylsulfinylimidazole
SMILESCn1ccnc1S(C)=O
InChIInChI=1S/C5H8N2OS/c1-7-4-3-6-5(7)9(2)8/h3-4H,1-2H3
InChIKeySYZHBDIUGGHYNU-UHFFFAOYSA-N
XLogP0.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfinylimidazole?
The IUPAC name of 1-methyl-2-methylsulfinylimidazole (CID 3009058) is 1-methyl-2-methylsulfinylimidazole.
What is the SMILES notation for 1-methyl-2-methylsulfinylimidazole?
The canonical SMILES for 1-methyl-2-methylsulfinylimidazole is Cn1ccnc1S(C)=O.
What is the InChIKey of 1-methyl-2-methylsulfinylimidazole?
The InChIKey is SYZHBDIUGGHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-7-4-3-6-5(7)9(2)8/h3-4H,1-2H3.
What are the key properties of 1-methyl-2-methylsulfinylimidazole?
1-methyl-2-methylsulfinylimidazole has a molecular weight of 144.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfinylimidazole is sourced from PubChem (CID 3009058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).