4-methyl-3-prop-2-enyl-1H-imidazole-2-thione

C7H10N2S — CID 135030229

IUPAC4-methyl-3-prop-2-enyl-1H-imidazole-2-thione
SMILESC=CCn1c(C)c[nH]c1=S
InChIInChI=1S/C7H10N2S/c1-3-4-9-6(2)5-8-7(9)10/h3,5H,1,4H2,2H3,(H,8,10)
InChIKeyOQGSCUBTCVNKIQ-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione

4-methyl-3-prop-2-enyl-1H-imidazole-2-thione (PubChem CID 135030229) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-prop-2-enyl-1H-imidazole-2-thione
PubChem CID135030229
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name4-methyl-3-prop-2-enyl-1H-imidazole-2-thione
SMILESC=CCn1c(C)c[nH]c1=S
InChIInChI=1S/C7H10N2S/c1-3-4-9-6(2)5-8-7(9)10/h3,5H,1,4H2,2H3,(H,8,10)
InChIKeyOQGSCUBTCVNKIQ-UHFFFAOYSA-N
XLogP2.04
TPSA20.72 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 ≤ 52.04
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

3,5-dimethyl-1H-imidazole-2-thione
CID 12544371
1,5-dimethyl-2,3-dihydro-1H-imidazole-2-thione
CID 20067388
4-methyl-3-propyl-1H-imidazole-2-thione
CID 23191164
1-Allylimidazole-2-thione
CID 5372590
4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
CID 91598375
Methyl(1h,4h)-pyrimidine-2-thiol
CID 129705090
3-(2,2-difluoroethyl)-4-methyl-1H-imidazole-2-thione
CID 115408215
3-(2-fluoroethyl)-4-methyl-1H-imidazole-2-thione
CID 130504598
2H-imidazole-2-thione, 1,3-dihydro-5-(1-methylethyl)-1-(2-propen-1-yl)-
CID 12519167
3-butyl-4-methyl-1H-imidazole-2-thione
CID 19012731
2,2,3-trimethyl-1H-pyrimidine-6-thione
CID 20694653
1-Isopropyl-3,4-dihydropyrimidine-2(1H)-thione
CID 21222590

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione (CID 135030229) is 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione is C=CCn1c(C)c[nH]c1=S.
What is the InChIKey of 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione?
The InChIKey is OQGSCUBTCVNKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-4-9-6(2)5-8-7(9)10/h3,5H,1,4H2,2H3,(H,8,10).
What are the key properties of 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione?
4-methyl-3-prop-2-enyl-1H-imidazole-2-thione has a molecular weight of 154.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-prop-2-enyl-1H-imidazole-2-thione is sourced from PubChem (CID 135030229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).