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

C5H10N2S — CID 123603312

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
SMILESCC(S)C1=NCCN1
InChIInChI=1S/C5H10N2S/c1-4(8)5-6-2-3-7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyKYTOAKMDWUJANQ-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.31
Rot. Bonds1

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

1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol (PubChem CID 123603312) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
PubChem CID123603312
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
SMILESCC(S)C1=NCCN1
InChIInChI=1S/C5H10N2S/c1-4(8)5-6-2-3-7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyKYTOAKMDWUJANQ-UHFFFAOYSA-N
XLogP0.31
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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

2-Imidazoline, 2-ethyl-
CID 13590
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
2-(ethylsulfanylmethyl)-4,5-dihydro-1H-imidazole
CID 14150580
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol
CID 14960727
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethial
CID 18785150
2-(4,5-dihydro-1H-imidazol-2-yl)ethanethial;hydrochloride
CID 20203276
2-(methylsulfanylmethyl)-4,5-dihydro-1H-imidazole
CID 45092629
4,5-dihydro-1H-imidazol-2-ylmethanethiol;hydrobromide
CID 88069071
2-Methyl-1,4,5,6-tetrahydropyrimidine-5-thiol
CID 88387884
2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
CID 90875988

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol (CID 123603312) is 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol is CC(S)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
The InChIKey is KYTOAKMDWUJANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4(8)5-6-2-3-7-5/h4,8H,2-3H2,1H3,(H,6,7).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol?
1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol has a molecular weight of 130.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanethiol is sourced from PubChem (CID 123603312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).