4-(thiiran-2-yl)pentane-2-thiol

C7H14S2 — CID 57258298

IUPAC4-(thiiran-2-yl)pentane-2-thiol
SMILESCC(S)CC(C)C1CS1
InChIInChI=1S/C7H14S2/c1-5(3-6(2)8)7-4-9-7/h5-8H,3-4H2,1-2H3
InChIKeyOWVXSSJXVGLZMG-UHFFFAOYSA-N
MW162.32 g/mol
LogP2.45
Rot. Bonds3

About 4-(thiiran-2-yl)pentane-2-thiol

4-(thiiran-2-yl)pentane-2-thiol (PubChem CID 57258298) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 4-(thiiran-2-yl)pentane-2-thiol.

Molecular Properties

Compound Name4-(thiiran-2-yl)pentane-2-thiol
PubChem CID57258298
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name4-(thiiran-2-yl)pentane-2-thiol
SMILESCC(S)CC(C)C1CS1
InChIInChI=1S/C7H14S2/c1-5(3-6(2)8)7-4-9-7/h5-8H,3-4H2,1-2H3
InChIKeyOWVXSSJXVGLZMG-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(thiiran-2-yl)pentane-2-thiol?
The IUPAC name of 4-(thiiran-2-yl)pentane-2-thiol (CID 57258298) is 4-(thiiran-2-yl)pentane-2-thiol.
What is the SMILES notation for 4-(thiiran-2-yl)pentane-2-thiol?
The canonical SMILES for 4-(thiiran-2-yl)pentane-2-thiol is CC(S)CC(C)C1CS1.
What is the InChIKey of 4-(thiiran-2-yl)pentane-2-thiol?
The InChIKey is OWVXSSJXVGLZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-5(3-6(2)8)7-4-9-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-(thiiran-2-yl)pentane-2-thiol?
4-(thiiran-2-yl)pentane-2-thiol has a molecular weight of 162.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiiran-2-yl)pentane-2-thiol is sourced from PubChem (CID 57258298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).