2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol

C7H14N2S — CID 144714959

IUPAC2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol
SMILESCC1=CN(C)C(CCS)N1
InChIInChI=1S/C7H14N2S/c1-6-5-9(2)7(8-6)3-4-10/h5,7-8,10H,3-4H2,1-2H3
InChIKeyBOFPLCLMAGOTOT-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.03
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol

2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol (PubChem CID 144714959) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol
PubChem CID144714959
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol
SMILESCC1=CN(C)C(CCS)N1
InChIInChI=1S/C7H14N2S/c1-6-5-9(2)7(8-6)3-4-10/h5,7-8,10H,3-4H2,1-2H3
InChIKeyBOFPLCLMAGOTOT-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.03
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-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
CID 174870559
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
2-[4-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]cyclohexyl]ethanethiol
CID 174183901
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
2-ethyl-1,4-dimethyl-2,3-dihydropyrrole
CID 135288723
4-[2-(2,5-dimethylimidazol-1-yl)ethyl]piperidine
CID 172909232
4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979829
2,5-dimethyl-3-[3-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrazol-3-yl]phenyl]pyrazine
CID 45203148
(2S)-5-isocyano-2,3-dimethyl-1,2-dihydroimidazole
CID 59864831
1-ethyl-3-methyl-4,5-dihydroimidazol-1-ium-4-ol
CID 132969774
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol?
The IUPAC name of 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol (CID 144714959) is 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol?
The canonical SMILES for 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol is CC1=CN(C)C(CCS)N1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol?
The InChIKey is BOFPLCLMAGOTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6-5-9(2)7(8-6)3-4-10/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol?
2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol has a molecular weight of 158.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-dihydroimidazol-2-yl)ethanethiol is sourced from PubChem (CID 144714959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).