5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione

C8H12N2S — CID 81335505

IUPAC5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione
SMILESCc1cn(C2CC2C)c(=S)[nH]1
InChIInChI=1S/C8H12N2S/c1-5-3-7(5)10-4-6(2)9-8(10)11/h4-5,7H,3H2,1-2H3,(H,9,11)
InChIKeyALZOEGSKXYSADC-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.44
Rot. Bonds1

About 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione

5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione (PubChem CID 81335505) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione
PubChem CID81335505
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione
SMILESCc1cn(C2CC2C)c(=S)[nH]1
InChIInChI=1S/C8H12N2S/c1-5-3-7(5)10-4-6(2)9-8(10)11/h4-5,7H,3H2,1-2H3,(H,9,11)
InChIKeyALZOEGSKXYSADC-UHFFFAOYSA-N
XLogP2.44
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione (CID 81335505) is 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione is Cc1cn(C2CC2C)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione?
The InChIKey is ALZOEGSKXYSADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-3-7(5)10-4-6(2)9-8(10)11/h4-5,7H,3H2,1-2H3,(H,9,11).
What are the key properties of 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione?
5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione has a molecular weight of 168.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylcyclopropyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).