4-amino-1,3-dimethylimidazole-2-thione

C5H9N3S — CID 12571560

IUPAC4-amino-1,3-dimethylimidazole-2-thione
SMILESCn1cc(N)n(C)c1=S
InChIInChI=1S/C5H9N3S/c1-7-3-4(6)8(2)5(7)9/h3H,6H2,1-2H3
InChIKeyFILNVQFDAMGPOQ-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.68
Rot. Bonds

About 4-amino-1,3-dimethylimidazole-2-thione

4-amino-1,3-dimethylimidazole-2-thione (PubChem CID 12571560) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-amino-1,3-dimethylimidazole-2-thione.

Molecular Properties

Compound Name4-amino-1,3-dimethylimidazole-2-thione
PubChem CID12571560
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name4-amino-1,3-dimethylimidazole-2-thione
SMILESCn1cc(N)n(C)c1=S
InChIInChI=1S/C5H9N3S/c1-7-3-4(6)8(2)5(7)9/h3H,6H2,1-2H3
InChIKeyFILNVQFDAMGPOQ-UHFFFAOYSA-N
XLogP0.68
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-1,3-dimethylimidazole-2-thione?
The IUPAC name of 4-amino-1,3-dimethylimidazole-2-thione (CID 12571560) is 4-amino-1,3-dimethylimidazole-2-thione.
What is the SMILES notation for 4-amino-1,3-dimethylimidazole-2-thione?
The canonical SMILES for 4-amino-1,3-dimethylimidazole-2-thione is Cn1cc(N)n(C)c1=S.
What is the InChIKey of 4-amino-1,3-dimethylimidazole-2-thione?
The InChIKey is FILNVQFDAMGPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-7-3-4(6)8(2)5(7)9/h3H,6H2,1-2H3.
What are the key properties of 4-amino-1,3-dimethylimidazole-2-thione?
4-amino-1,3-dimethylimidazole-2-thione has a molecular weight of 143.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethylimidazole-2-thione is sourced from PubChem (CID 12571560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).