2-ethenylsulfanyl-1-methylimidazole

C6H8N2S — CID 11423643

IUPAC2-ethenylsulfanyl-1-methylimidazole
SMILESC=CSc1nccn1C
InChIInChI=1S/C6H8N2S/c1-3-9-6-7-4-5-8(6)2/h3-5H,1H2,2H3
InChIKeyNPJGMEWBUPKOFD-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.66
Rot. Bonds2

About 2-ethenylsulfanyl-1-methylimidazole

2-ethenylsulfanyl-1-methylimidazole (PubChem CID 11423643) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-ethenylsulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-ethenylsulfanyl-1-methylimidazole
PubChem CID11423643
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-ethenylsulfanyl-1-methylimidazole
SMILESC=CSc1nccn1C
InChIInChI=1S/C6H8N2S/c1-3-9-6-7-4-5-8(6)2/h3-5H,1H2,2H3
InChIKeyNPJGMEWBUPKOFD-UHFFFAOYSA-N
XLogP1.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-1-methylimidazole?
The IUPAC name of 2-ethenylsulfanyl-1-methylimidazole (CID 11423643) is 2-ethenylsulfanyl-1-methylimidazole.
What is the SMILES notation for 2-ethenylsulfanyl-1-methylimidazole?
The canonical SMILES for 2-ethenylsulfanyl-1-methylimidazole is C=CSc1nccn1C.
What is the InChIKey of 2-ethenylsulfanyl-1-methylimidazole?
The InChIKey is NPJGMEWBUPKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-3-9-6-7-4-5-8(6)2/h3-5H,1H2,2H3.
What are the key properties of 2-ethenylsulfanyl-1-methylimidazole?
2-ethenylsulfanyl-1-methylimidazole has a molecular weight of 140.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-1-methylimidazole is sourced from PubChem (CID 11423643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).