4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide

C4H9IN2S — CID 12689808

IUPAC4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide
SMILESI.SCC1=NCCN1
InChIInChI=1S/C4H8N2S.HI/c7-3-4-5-1-2-6-4;/h7H,1-3H2,(H,5,6);1H
InChIKeyADLKDTCGIMJYSP-UHFFFAOYSA-N
MW244.10 g/mol
LogP0.54
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide

4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide (PubChem CID 12689808) has the molecular formula C4H9IN2S and a molecular weight of 244.10 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide
PubChem CID12689808
Molecular FormulaC4H9IN2S
Molecular Weight244.10 g/mol
Exact Mass243.95
IUPAC Name4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide
SMILESI.SCC1=NCCN1
InChIInChI=1S/C4H8N2S.HI/c7-3-4-5-1-2-6-4;/h7H,1-3H2,(H,5,6);1H
InChIKeyADLKDTCGIMJYSP-UHFFFAOYSA-N
XLogP0.54
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide (CID 12689808) is 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide is I.SCC1=NCCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide?
The InChIKey is ADLKDTCGIMJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.HI/c7-3-4-5-1-2-6-4;/h7H,1-3H2,(H,5,6);1H.
What are the key properties of 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide?
4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide has a molecular weight of 244.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide is sourced from PubChem (CID 12689808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).