4-methyl-1,3-dihydroimidazole-2-thione

C4H6N2S — CID 2759857

IUPAC4-methyl-1,3-dihydroimidazole-2-thione
SMILESCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
InChIKeySBQPDLGIWJRKBS-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.38
Rot. Bonds

About 4-methyl-1,3-dihydroimidazole-2-thione

4-methyl-1,3-dihydroimidazole-2-thione (PubChem CID 2759857) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 4-methyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-methyl-1,3-dihydroimidazole-2-thione
PubChem CID2759857
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name4-methyl-1,3-dihydroimidazole-2-thione
SMILESCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
InChIKeySBQPDLGIWJRKBS-UHFFFAOYSA-N
XLogP1.38
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1H-imidazole-2-thiol
CID 3000739
4-(2-Aminoethyl)-1,3-dihydro-2H-imidazole-2-thione
CID 4273962
3,5-dimethyl-1H-imidazole-2-thione
CID 12544371
4-Propyl-1,3-dihydroimidazole-2-thione
CID 12551762
1,5-dimethyl-2,3-dihydro-1H-imidazole-2-thione
CID 20067388
4-ethyl-1H-imidazole-2-thiol
CID 20259031
4-methyl-3-propyl-1H-imidazole-2-thione
CID 23191164
2,2,3-trideuterio-5-methyl-1H-imidazole
CID 169087639
Isopropylimidazole-2-thione
CID 5372663
4-[(E)-prop-1-enyl]-1,3-dihydroimidazole-2-thione
CID 91598375
5-methyl-3-(2,2,2-trifluoroethyl)-1H-imidazole-2-thione
CID 81334660
3-(2-fluoroethyl)-4-methyl-1H-imidazole-2-thione
CID 130504598

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-methyl-1,3-dihydroimidazole-2-thione (CID 2759857) is 4-methyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-methyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-methyl-1,3-dihydroimidazole-2-thione is Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-methyl-1,3-dihydroimidazole-2-thione?
The InChIKey is SBQPDLGIWJRKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7).
What are the key properties of 4-methyl-1,3-dihydroimidazole-2-thione?
4-methyl-1,3-dihydroimidazole-2-thione has a molecular weight of 114.17 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 2759857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).