1-(5-cyclopropylimidazol-1-yl)ethanethiol

C8H12N2S — CID 147733505

IUPAC1-(5-cyclopropylimidazol-1-yl)ethanethiol
SMILESCC(S)n1cncc1C1CC1
InChIInChI=1S/C8H12N2S/c1-6(11)10-5-9-4-8(10)7-2-3-7/h4-7,11H,2-3H2,1H3
InChIKeyGYWZVZOQKWEQBK-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.21
Rot. Bonds2

About 1-(5-cyclopropylimidazol-1-yl)ethanethiol

1-(5-cyclopropylimidazol-1-yl)ethanethiol (PubChem CID 147733505) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(5-cyclopropylimidazol-1-yl)ethanethiol.

Molecular Properties

Compound Name1-(5-cyclopropylimidazol-1-yl)ethanethiol
PubChem CID147733505
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name1-(5-cyclopropylimidazol-1-yl)ethanethiol
SMILESCC(S)n1cncc1C1CC1
InChIInChI=1S/C8H12N2S/c1-6(11)10-5-9-4-8(10)7-2-3-7/h4-7,11H,2-3H2,1H3
InChIKeyGYWZVZOQKWEQBK-UHFFFAOYSA-N
XLogP2.21
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.21
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 1-(5-cyclopropylimidazol-1-yl)ethanethiol?
The IUPAC name of 1-(5-cyclopropylimidazol-1-yl)ethanethiol (CID 147733505) is 1-(5-cyclopropylimidazol-1-yl)ethanethiol.
What is the SMILES notation for 1-(5-cyclopropylimidazol-1-yl)ethanethiol?
The canonical SMILES for 1-(5-cyclopropylimidazol-1-yl)ethanethiol is CC(S)n1cncc1C1CC1.
What is the InChIKey of 1-(5-cyclopropylimidazol-1-yl)ethanethiol?
The InChIKey is GYWZVZOQKWEQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(11)10-5-9-4-8(10)7-2-3-7/h4-7,11H,2-3H2,1H3.
What are the key properties of 1-(5-cyclopropylimidazol-1-yl)ethanethiol?
1-(5-cyclopropylimidazol-1-yl)ethanethiol has a molecular weight of 168.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropylimidazol-1-yl)ethanethiol is sourced from PubChem (CID 147733505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).