2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol

C5H10N2S — CID 14960727

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
SMILESSCCC1=NCCN1
InChIInChI=1S/C5H10N2S/c8-4-1-5-6-2-3-7-5/h8H,1-4H2,(H,6,7)
InChIKeyOHVVENGRMQAKKX-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.31
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol

2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol (PubChem CID 14960727) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
PubChem CID14960727
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
SMILESSCCC1=NCCN1
InChIInChI=1S/C5H10N2S/c8-4-1-5-6-2-3-7-5/h8H,1-4H2,(H,6,7)
InChIKeyOHVVENGRMQAKKX-UHFFFAOYSA-N
XLogP0.31
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydrochloride
CID 24195687
(4,5-dihydro-1H-imidazol-2-yl)methanethiol
CID 426579
4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydroiodide
CID 12689808
4,5-dihydro-1H-imidazole-2-carbothialdehyde
CID 18353265
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethial
CID 18785150
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethial;hydrochloride
CID 20203276
1,4,5,6-Tetrahydropyrimidin-2-ylmethanethiol
CID 57119677
CID 59407136
CID 59407136
4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydrobromide
CID 88069071
2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
CID 90875988
5-methyl-2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
CID 91108953
3-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)propan-1-amine
CID 121451260

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol (CID 14960727) is 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol is SCCC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
The InChIKey is OHVVENGRMQAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c8-4-1-5-6-2-3-7-5/h8H,1-4H2,(H,6,7).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol has a molecular weight of 130.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol is sourced from PubChem (CID 14960727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).