2-prop-2-enylsulfanyl-1H-imidazole

C6H8N2S — CID 55287747

IUPAC2-prop-2-enylsulfanyl-1H-imidazole
SMILESC=CCSc1ncc[nH]1
InChIInChI=1S/C6H8N2S/c1-2-5-9-6-7-3-4-8-6/h2-4H,1,5H2,(H,7,8)
InChIKeyWTVJEEFWXBVPHZ-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.69
Rot. Bonds3

About 2-prop-2-enylsulfanyl-1H-imidazole

2-prop-2-enylsulfanyl-1H-imidazole (PubChem CID 55287747) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-1H-imidazole
PubChem CID55287747
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-prop-2-enylsulfanyl-1H-imidazole
SMILESC=CCSc1ncc[nH]1
InChIInChI=1S/C6H8N2S/c1-2-5-9-6-7-3-4-8-6/h2-4H,1,5H2,(H,7,8)
InChIKeyWTVJEEFWXBVPHZ-UHFFFAOYSA-N
XLogP1.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-1H-imidazole?
The IUPAC name of 2-prop-2-enylsulfanyl-1H-imidazole (CID 55287747) is 2-prop-2-enylsulfanyl-1H-imidazole.
What is the SMILES notation for 2-prop-2-enylsulfanyl-1H-imidazole?
The canonical SMILES for 2-prop-2-enylsulfanyl-1H-imidazole is C=CCSc1ncc[nH]1.
What is the InChIKey of 2-prop-2-enylsulfanyl-1H-imidazole?
The InChIKey is WTVJEEFWXBVPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-5-9-6-7-3-4-8-6/h2-4H,1,5H2,(H,7,8).
What are the key properties of 2-prop-2-enylsulfanyl-1H-imidazole?
2-prop-2-enylsulfanyl-1H-imidazole has a molecular weight of 140.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-1H-imidazole is sourced from PubChem (CID 55287747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).