2-(4,5-dihydroimidazol-1-yl)ethanethiol

C5H10N2S — CID 3073881

IUPAC2-(4,5-dihydroimidazol-1-yl)ethanethiol
SMILESSCCN1C=NCC1
InChIInChI=1S/C5H10N2S/c8-4-3-7-2-1-6-5-7/h5,8H,1-4H2
InChIKeyQIBVUXOEAVFBHJ-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.26
Rot. Bonds2

About 2-(4,5-dihydroimidazol-1-yl)ethanethiol

2-(4,5-dihydroimidazol-1-yl)ethanethiol (PubChem CID 3073881) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)ethanethiol
PubChem CID3073881
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-(4,5-dihydroimidazol-1-yl)ethanethiol
SMILESSCCN1C=NCC1
InChIInChI=1S/C5H10N2S/c8-4-3-7-2-1-6-5-7/h5,8H,1-4H2
InChIKeyQIBVUXOEAVFBHJ-UHFFFAOYSA-N
XLogP0.26
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4,5-dihydroimidazol-1-yl)ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Imidazole-1-ethanethiol, 4,5-dihydro-, monohydrochloride
CID 3073880
1-Ethylsulfanyl-4,5-dihydroimidazole
CID 57119806
4,5-Dihydroimidazol-1-ylmethanethiol
CID 57229893
(1-Methyl-4,5-dihydroimidazol-2-yl)methanethiol
CID 57292405
1-(4,5-Dihydroimidazol-1-yl)ethanethiol
CID 88025395
3-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 88190838
(1-Methyl-4,5-dihydroimidazol-1-ium-1-yl)methanethiol
CID 89171873
3-(4,5-Dihydroimidazol-1-yl)propane-1-thiol;ethane
CID 144237041
3-(4,5-Dihydroimidazol-1-yl)propylsulfanium
CID 144237071
1-(4,5-Dihydroimidazol-1-yl)propane-1-thiol
CID 173272070
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 2-(4,5-dihydroimidazol-1-yl)ethanethiol?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)ethanethiol (CID 3073881) is 2-(4,5-dihydroimidazol-1-yl)ethanethiol.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)ethanethiol?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)ethanethiol is SCCN1C=NCC1.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)ethanethiol?
The InChIKey is QIBVUXOEAVFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c8-4-3-7-2-1-6-5-7/h5,8H,1-4H2.
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)ethanethiol?
2-(4,5-dihydroimidazol-1-yl)ethanethiol has a molecular weight of 130.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)ethanethiol is sourced from PubChem (CID 3073881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).