2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole

C5H10N2O2S2 — CID 2148540

IUPAC2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(C)(=O)=O
InChIInChI=1S/C5H10N2O2S2/c1-10-5-6-3-4-7(5)11(2,8)9/h3-4H2,1-2H3
InChIKeyOPRZCIWJKADBSH-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.02
Rot. Bonds1

About 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole

2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole (PubChem CID 2148540) has the molecular formula C5H10N2O2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
PubChem CID2148540
Molecular FormulaC5H10N2O2S2
Molecular Weight194.28 g/mol
Exact Mass194.02
IUPAC Name2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1S(C)(=O)=O
InChIInChI=1S/C5H10N2O2S2/c1-10-5-6-3-4-7(5)11(2,8)9/h3-4H2,1-2H3
InChIKeyOPRZCIWJKADBSH-UHFFFAOYSA-N
XLogP-0.02
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole (CID 2148540) is 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole is CSC1=NCCN1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
The InChIKey is OPRZCIWJKADBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S2/c1-10-5-6-3-4-7(5)11(2,8)9/h3-4H2,1-2H3.
What are the key properties of 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole?
2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole has a molecular weight of 194.28 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-methylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 2148540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).