3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione

C8H12N2S — CID 59931580

IUPAC3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione
SMILESC=CCc1c(C)[nH]c(=S)n1C
InChIInChI=1S/C8H12N2S/c1-4-5-7-6(2)9-8(11)10(7)3/h4H,1,5H2,2-3H3,(H,9,11)
InChIKeyJWIXLONHLZHWDP-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.12
Rot. Bonds2

About 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione

3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione (PubChem CID 59931580) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione
PubChem CID59931580
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione
SMILESC=CCc1c(C)[nH]c(=S)n1C
InChIInChI=1S/C8H12N2S/c1-4-5-7-6(2)9-8(11)10(7)3/h4H,1,5H2,2-3H3,(H,9,11)
InChIKeyJWIXLONHLZHWDP-UHFFFAOYSA-N
XLogP2.12
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Srqweyqyhorvey-uhfffaoysa-
CID 50936786
1-ethyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966797
4-ethyl-3,5-dimethyl-1H-imidazole-2-thione
CID 59931581
3,4-dimethyl-5-propan-2-yl-1H-imidazole-2-thione
CID 89411299
3-Methyl-1,6-dihydrocyclohepta[d]imidazole-2-thione
CID 123902837
4-ethyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
CID 135294693
4,5-Bis(prop-2-enyl)-1,3-dihydroimidazole-2-thione
CID 140241120
3,4,5-tris(prop-2-enyl)-1H-imidazole-2-thione
CID 140241124
4-[(Z)-but-1-enyl]-5-methyl-1,3-dihydroimidazole-2-thione
CID 142221792
Cyclonona-1,3,5,7-tetraen-1-ylcarbamothioyl(methyl)azanium
CID 164982728
3,5-dimethyl-4-propan-2-yl-1H-imidazole-2-thione
CID 169893252
3-methyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione
CID 10035638

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione?
The IUPAC name of 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione (CID 59931580) is 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione.
What is the SMILES notation for 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione?
The canonical SMILES for 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione is C=CCc1c(C)[nH]c(=S)n1C.
What is the InChIKey of 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione?
The InChIKey is JWIXLONHLZHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-5-7-6(2)9-8(11)10(7)3/h4H,1,5H2,2-3H3,(H,9,11).
What are the key properties of 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione?
3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-prop-2-enyl-1H-imidazole-2-thione is sourced from PubChem (CID 59931580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).