5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole

C7H10N2S — CID 118898821

IUPAC5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole
SMILESC/C=C\Sc1ncc(C)[nH]1
InChIInChI=1S/C7H10N2S/c1-3-4-10-7-8-5-6(2)9-7/h3-5H,1-2H3,(H,8,9)/b4-3-
InChIKeyZPCWRGIEBIBQHR-ARJAWSKDSA-N
MW154.24 g/mol
LogP2.34
Rot. Bonds2

About 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole

5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole (PubChem CID 118898821) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole
PubChem CID118898821
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole
SMILESC/C=C\Sc1ncc(C)[nH]1
InChIInChI=1S/C7H10N2S/c1-3-4-10-7-8-5-6(2)9-7/h3-5H,1-2H3,(H,8,9)/b4-3-
InChIKeyZPCWRGIEBIBQHR-ARJAWSKDSA-N
XLogP2.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,4-Dimethylimidazole
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Imetit Dihydrobromide
CID 11957573
2-(1H-imidazol-5-yl)ethyl carbamimidothioate;hydrobromide
CID 25102741
1H-2-imidazolyl 2-(1H-4-imidazolyl)ethyl sulfide
CID 15212461
Thiaburimamide
CID 3034473
2-Iodo-4-methyl-1H-imidazole
CID 322560
5-methyl-1H-imidazol-2-amine
CID 322559
N-cyano-N'-[2-(4-imidazolylmethylthio)ethyl]-N"-methylguanidine
CID 54183770
4(5)-(Methyl-d3)imidazole; 5-(Methyl-d3)-1H-imidazole
CID 71750394

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole?
The IUPAC name of 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole (CID 118898821) is 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole?
The canonical SMILES for 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole is C/C=C\Sc1ncc(C)[nH]1.
What is the InChIKey of 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole?
The InChIKey is ZPCWRGIEBIBQHR-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-4-10-7-8-5-6(2)9-7/h3-5H,1-2H3,(H,8,9)/b4-3-.
What are the key properties of 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole?
5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole has a molecular weight of 154.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(Z)-prop-1-enyl]sulfanyl-1H-imidazole is sourced from PubChem (CID 118898821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).