1,3-dimethylimidazolidine-4-thiol

C5H12N2S — CID 58738707

IUPAC1,3-dimethylimidazolidine-4-thiol
SMILESCN1CC(S)N(C)C1
InChIInChI=1S/C5H12N2S/c1-6-3-5(8)7(2)4-6/h5,8H,3-4H2,1-2H3
InChIKeyIIISDDXMGCBAAS-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.08
Rot. Bonds

About 1,3-dimethylimidazolidine-4-thiol

1,3-dimethylimidazolidine-4-thiol (PubChem CID 58738707) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 1,3-dimethylimidazolidine-4-thiol.

Molecular Properties

Compound Name1,3-dimethylimidazolidine-4-thiol
PubChem CID58738707
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name1,3-dimethylimidazolidine-4-thiol
SMILESCN1CC(S)N(C)C1
InChIInChI=1S/C5H12N2S/c1-6-3-5(8)7(2)4-6/h5,8H,3-4H2,1-2H3
InChIKeyIIISDDXMGCBAAS-UHFFFAOYSA-N
XLogP0.08
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.08
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

1,3,4-trimethylimidazolidine
CID 13109377
1,3-dimethyl-4-pentan-3-ylimidazolidine
CID 138630846
3,6-dimethyl-1,3,6-triazabicyclo[3.2.0]heptane
CID 146667867
1,3,5-trimethyl-1,3,5-triazinan-2-amine
CID 174832222
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
ethane;1-methylpyrrolidine-3-thiol
CID 155717252
3,5,8,10-tetramethyl-3,5,8,10-tetrazatricyclo[5.3.0.02,6]decane
CID 10584056
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
1,2,3,4-tetramethylpiperazine
CID 66583347
1-methyl-5-propan-2-ylpyrrolidin-3-amine
CID 83855177
4-(1-methylaziridin-2-yl)butan-2-one
CID 167665229

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylimidazolidine-4-thiol?
The IUPAC name of 1,3-dimethylimidazolidine-4-thiol (CID 58738707) is 1,3-dimethylimidazolidine-4-thiol.
What is the SMILES notation for 1,3-dimethylimidazolidine-4-thiol?
The canonical SMILES for 1,3-dimethylimidazolidine-4-thiol is CN1CC(S)N(C)C1.
What is the InChIKey of 1,3-dimethylimidazolidine-4-thiol?
The InChIKey is IIISDDXMGCBAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-6-3-5(8)7(2)4-6/h5,8H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylimidazolidine-4-thiol?
1,3-dimethylimidazolidine-4-thiol has a molecular weight of 132.23 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylimidazolidine-4-thiol is sourced from PubChem (CID 58738707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).