2-cyclopropylethanethiol

C5H10S — CID 21187487

IUPAC2-cyclopropylethanethiol
SMILESSCCC1CC1
InChIInChI=1S/C5H10S/c6-4-3-5-1-2-5/h5-6H,1-4H2
InChIKeyGDAJGCSABQAVRD-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.72
Rot. Bonds2

About 2-cyclopropylethanethiol

2-cyclopropylethanethiol (PubChem CID 21187487) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 2-cyclopropylethanethiol.

Molecular Properties

Compound Name2-cyclopropylethanethiol
PubChem CID21187487
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name2-cyclopropylethanethiol
SMILESSCCC1CC1
InChIInChI=1S/C5H10S/c6-4-3-5-1-2-5/h5-6H,1-4H2
InChIKeyGDAJGCSABQAVRD-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclopropylethanethiol?
The IUPAC name of 2-cyclopropylethanethiol (CID 21187487) is 2-cyclopropylethanethiol.
What is the SMILES notation for 2-cyclopropylethanethiol?
The canonical SMILES for 2-cyclopropylethanethiol is SCCC1CC1.
What is the InChIKey of 2-cyclopropylethanethiol?
The InChIKey is GDAJGCSABQAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c6-4-3-5-1-2-5/h5-6H,1-4H2.
What are the key properties of 2-cyclopropylethanethiol?
2-cyclopropylethanethiol has a molecular weight of 102.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethanethiol is sourced from PubChem (CID 21187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).