4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione

C8H12N2S — CID 142221792

IUPAC4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione
SMILESCC/C=C\c1[nH]c(=S)[nH]c1C
InChIInChI=1S/C8H12N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h4-5H,3H2,1-2H3,(H2,9,10,11)/b5-4-
InChIKeyBCQHIIPMWCGVON-PLNGDYQASA-N
MW168.26 g/mol
LogP2.80
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione

4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione (PubChem CID 142221792) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione
PubChem CID142221792
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione
SMILESCC/C=C\c1[nH]c(=S)[nH]c1C
InChIInChI=1S/C8H12N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h4-5H,3H2,1-2H3,(H2,9,10,11)/b5-4-
InChIKeyBCQHIIPMWCGVON-PLNGDYQASA-N
XLogP2.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione (CID 142221792) is 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione is CC/C=C\c1[nH]c(=S)[nH]c1C.
What is the InChIKey of 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione?
The InChIKey is BCQHIIPMWCGVON-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-4-5-7-6(2)9-8(11)10-7/h4-5H,3H2,1-2H3,(H2,9,10,11)/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione?
4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 142221792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).