4,5-dihydro-1H-imidazole-4,5-dithiol

C3H6N2S2 — CID 150760861

IUPAC4,5-dihydro-1H-imidazole-4,5-dithiol
SMILESSC1N=CNC1S
InChIInChI=1S/C3H6N2S2/c6-2-3(7)5-1-4-2/h1-3,6-7H,(H,4,5)
InChIKeyJXUNWLDCGCXVCL-UHFFFAOYSA-N
MW134.23 g/mol
LogP0.13
Rot. Bonds

About 4,5-dihydro-1H-imidazole-4,5-dithiol

4,5-dihydro-1H-imidazole-4,5-dithiol (PubChem CID 150760861) has the molecular formula C3H6N2S2 and a molecular weight of 134.23 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole-4,5-dithiol.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole-4,5-dithiol
PubChem CID150760861
Molecular FormulaC3H6N2S2
Molecular Weight134.23 g/mol
Exact Mass134.00
IUPAC Name4,5-dihydro-1H-imidazole-4,5-dithiol
SMILESSC1N=CNC1S
InChIInChI=1S/C3H6N2S2/c6-2-3(7)5-1-4-2/h1-3,6-7H,(H,4,5)
InChIKeyJXUNWLDCGCXVCL-UHFFFAOYSA-N
XLogP0.13
TPSA24.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.23
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole-4,5-dithiol?
The IUPAC name of 4,5-dihydro-1H-imidazole-4,5-dithiol (CID 150760861) is 4,5-dihydro-1H-imidazole-4,5-dithiol.
What is the SMILES notation for 4,5-dihydro-1H-imidazole-4,5-dithiol?
The canonical SMILES for 4,5-dihydro-1H-imidazole-4,5-dithiol is SC1N=CNC1S.
What is the InChIKey of 4,5-dihydro-1H-imidazole-4,5-dithiol?
The InChIKey is JXUNWLDCGCXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S2/c6-2-3(7)5-1-4-2/h1-3,6-7H,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole-4,5-dithiol?
4,5-dihydro-1H-imidazole-4,5-dithiol has a molecular weight of 134.23 g/mol, XLogP of 0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole-4,5-dithiol is sourced from PubChem (CID 150760861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).