[2-(2-methylpropyl)cyclopropen-1-yl]methanethiol

C8H14S — CID 123654515

IUPAC[2-(2-methylpropyl)cyclopropen-1-yl]methanethiol
SMILESCC(C)CC1=C(CS)C1
InChIInChI=1S/C8H14S/c1-6(2)3-7-4-8(7)5-9/h6,9H,3-5H2,1-2H3
InChIKeyADPYAQBSIOLUFW-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.66
Rot. Bonds3

About [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol

[2-(2-methylpropyl)cyclopropen-1-yl]methanethiol (PubChem CID 123654515) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol.

Molecular Properties

Compound Name[2-(2-methylpropyl)cyclopropen-1-yl]methanethiol
PubChem CID123654515
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name[2-(2-methylpropyl)cyclopropen-1-yl]methanethiol
SMILESCC(C)CC1=C(CS)C1
InChIInChI=1S/C8H14S/c1-6(2)3-7-4-8(7)5-9/h6,9H,3-5H2,1-2H3
InChIKeyADPYAQBSIOLUFW-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol?
The IUPAC name of [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol (CID 123654515) is [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol.
What is the SMILES notation for [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol?
The canonical SMILES for [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol is CC(C)CC1=C(CS)C1.
What is the InChIKey of [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol?
The InChIKey is ADPYAQBSIOLUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6(2)3-7-4-8(7)5-9/h6,9H,3-5H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol?
[2-(2-methylpropyl)cyclopropen-1-yl]methanethiol has a molecular weight of 142.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)cyclopropen-1-yl]methanethiol is sourced from PubChem (CID 123654515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).