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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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).