pent-4-ene-1-thiol

C5H10S — CID 12575094

IUPACpent-4-ene-1-thiol
SMILESC=CCCCS
InChIInChI=1S/C5H10S/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChIKeyFIAIUXDEJBAZET-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.88
Rot. Bonds3

About pent-4-ene-1-thiol

pent-4-ene-1-thiol (PubChem CID 12575094) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is pent-4-ene-1-thiol.

Molecular Properties

Compound Namepent-4-ene-1-thiol
PubChem CID12575094
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Namepent-4-ene-1-thiol
SMILESC=CCCCS
InChIInChI=1S/C5H10S/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChIKeyFIAIUXDEJBAZET-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-4-ene-1-thiol?
The IUPAC name of pent-4-ene-1-thiol (CID 12575094) is pent-4-ene-1-thiol.
What is the SMILES notation for pent-4-ene-1-thiol?
The canonical SMILES for pent-4-ene-1-thiol is C=CCCCS.
What is the InChIKey of pent-4-ene-1-thiol?
The InChIKey is FIAIUXDEJBAZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-2-3-4-5-6/h2,6H,1,3-5H2.
What are the key properties of pent-4-ene-1-thiol?
pent-4-ene-1-thiol has a molecular weight of 102.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1-thiol is sourced from PubChem (CID 12575094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).