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

C8H16N2S — CID 175484684

IUPAC2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol
SMILESCC(C)C1=NCCN1CCS
InChIInChI=1S/C8H16N2S/c1-7(2)8-9-3-4-10(8)5-6-11/h7,11H,3-6H2,1-2H3
InChIKeyHOHPYICUSARSLT-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.29
Rot. Bonds3

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

2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol (PubChem CID 175484684) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol
PubChem CID175484684
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol
SMILESCC(C)C1=NCCN1CCS
InChIInChI=1S/C8H16N2S/c1-7(2)8-9-3-4-10(8)5-6-11/h7,11H,3-6H2,1-2H3
InChIKeyHOHPYICUSARSLT-UHFFFAOYSA-N
XLogP1.29
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol?
The IUPAC name of 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol (CID 175484684) is 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol.
What is the SMILES notation for 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol?
The canonical SMILES for 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol is CC(C)C1=NCCN1CCS.
What is the InChIKey of 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol?
The InChIKey is HOHPYICUSARSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-7(2)8-9-3-4-10(8)5-6-11/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol?
2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol has a molecular weight of 172.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)ethanethiol is sourced from PubChem (CID 175484684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).