1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide

C5H11IN2S — CID 88795811

IUPAC1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide
SMILESCC1=NC(S)CN1C.I
InChIInChI=1S/C5H10N2S.HI/c1-4-6-5(8)3-7(4)2;/h5,8H,3H2,1-2H3;1H
InChIKeyUSHNIWXQBGDTIS-UHFFFAOYSA-N
MW258.13 g/mol
LogP1.22
Rot. Bonds

About 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide

1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide (PubChem CID 88795811) has the molecular formula C5H11IN2S and a molecular weight of 258.13 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide
PubChem CID88795811
Molecular FormulaC5H11IN2S
Molecular Weight258.13 g/mol
Exact Mass257.97
IUPAC Name1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide
SMILESCC1=NC(S)CN1C.I
InChIInChI=1S/C5H10N2S.HI/c1-4-6-5(8)3-7(4)2;/h5,8H,3H2,1-2H3;1H
InChIKeyUSHNIWXQBGDTIS-UHFFFAOYSA-N
XLogP1.22
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
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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Related Compounds

1-Methyl-4,5-dihydroimidazole-2-carbothialdehyde;hydroiodide
CID 20298170
(1-Methyl-4,5-dihydroimidazol-2-yl)methanethiol
CID 57292405
1-ethyl-2-methyl-4H-imidazole-5-thione
CID 58181065
1-(4,5-Dihydroimidazol-1-yl)ethanethiol
CID 88025395
(1-Methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide
CID 88772679
2,3-dimethyl-4H-imidazole-5-thione
CID 151557760
1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-carbodithioic acid
CID 12782484
1-Methyl-4,5-dihydroimidazole-2-carbothialdehyde
CID 20298171
2-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanethiol
CID 85809759
1,2-Dimethyl-4,5-dihydroimidazole-4-thiol
CID 88795812

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide?
The IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide (CID 88795811) is 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide?
The canonical SMILES for 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide is CC1=NC(S)CN1C.I.
What is the InChIKey of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide?
The InChIKey is USHNIWXQBGDTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S.HI/c1-4-6-5(8)3-7(4)2;/h5,8H,3H2,1-2H3;1H.
What are the key properties of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide?
1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide has a molecular weight of 258.13 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide is sourced from PubChem (CID 88795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).