5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole

C8H10N2S — CID 130695722

IUPAC5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole
SMILESC#CCSc1ncc(CC)[nH]1
InChIInChI=1S/C8H10N2S/c1-3-5-11-8-9-6-7(4-2)10-8/h1,6H,4-5H2,2H3,(H,9,10)
InChIKeyDMHSHNZUZPBXSK-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.70
Rot. Bonds3

About 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole

5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole (PubChem CID 130695722) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole
PubChem CID130695722
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole
SMILESC#CCSc1ncc(CC)[nH]1
InChIInChI=1S/C8H10N2S/c1-3-5-11-8-9-6-7(4-2)10-8/h1,6H,4-5H2,2H3,(H,9,10)
InChIKeyDMHSHNZUZPBXSK-UHFFFAOYSA-N
XLogP1.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
CID 100726062
2-prop-2-ynylsulfanyl-1H-imidazole
CID 55287581
(5-ethyl-1H-imidazol-2-yl)methanamine
CID 82235615
propan-2-yl 3-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 166402293
5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133492668
5-(chloromethyl)-2-propylsulfanyl-1H-imidazole
CID 86748913
5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
ethyl (2S)-2-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]butanoate
CID 100634550
ethyl (2R)-2-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]butanoate
CID 100634561
3-prop-2-ynylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137216293
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
3-[(5-ethyl-1H-imidazol-2-yl)sulfanylmethyl]azepan-2-one
CID 166266701

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole?
The IUPAC name of 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole (CID 130695722) is 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole.
What is the SMILES notation for 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole?
The canonical SMILES for 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole is C#CCSc1ncc(CC)[nH]1.
What is the InChIKey of 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole?
The InChIKey is DMHSHNZUZPBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-3-5-11-8-9-6-7(4-2)10-8/h1,6H,4-5H2,2H3,(H,9,10).
What are the key properties of 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole?
5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole has a molecular weight of 166.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole is sourced from PubChem (CID 130695722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).