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

C5H10N2S — CID 88795812

IUPAC1,2-dimethyl-4,5-dihydroimidazole-4-thiol
SMILESCC1=NC(S)CN1C
InChIInChI=1S/C5H10N2S/c1-4-6-5(8)3-7(4)2/h5,8H,3H2,1-2H3
InChIKeyBLNJNQKFAUGHFY-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.61
Rot. Bonds

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

1,2-dimethyl-4,5-dihydroimidazole-4-thiol (PubChem CID 88795812) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydroimidazole-4-thiol.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydroimidazole-4-thiol
PubChem CID88795812
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1,2-dimethyl-4,5-dihydroimidazole-4-thiol
SMILESCC1=NC(S)CN1C
InChIInChI=1S/C5H10N2S/c1-4-6-5(8)3-7(4)2/h5,8H,3H2,1-2H3
InChIKeyBLNJNQKFAUGHFY-UHFFFAOYSA-N
XLogP0.61
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-Dihydroimidazol-1-yl)ethanethiol
CID 3073881
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
2-Methyl-1-methylsulfanyl-4,5-dihydroimidazole
CID 88374009
(1-Methyl-4,5-dihydroimidazol-2-yl)methanethiol;hydroiodide
CID 88772679
1,2-Dimethyl-4,5-dihydroimidazole-4-thiol;hydroiodide
CID 88795811
2,3-dimethyl-4H-imidazole-5-thione
CID 151557760
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
1-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 173272070
1,3-Diethyl-4,5-dihydroimidazol-1-ium-2-carbodithioic acid
CID 424027

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol?
The IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol (CID 88795812) is 1,2-dimethyl-4,5-dihydroimidazole-4-thiol.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydroimidazole-4-thiol?
The canonical SMILES for 1,2-dimethyl-4,5-dihydroimidazole-4-thiol is CC1=NC(S)CN1C.
What is the InChIKey of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol?
The InChIKey is BLNJNQKFAUGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4-6-5(8)3-7(4)2/h5,8H,3H2,1-2H3.
What are the key properties of 1,2-dimethyl-4,5-dihydroimidazole-4-thiol?
1,2-dimethyl-4,5-dihydroimidazole-4-thiol has a molecular weight of 130.22 g/mol, XLogP of 0.61, 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 is sourced from PubChem (CID 88795812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).