5-prop-2-enylsulfanylpent-1-yne

C8H12S — CID 10464413

IUPAC5-prop-2-enylsulfanylpent-1-yne
SMILESC#CCCCSCC=C
InChIInChI=1S/C8H12S/c1-3-5-6-8-9-7-4-2/h1,4H,2,5-8H2
InChIKeyXYFCPAOSEVEQIZ-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.32
Rot. Bonds5

About 5-prop-2-enylsulfanylpent-1-yne

5-prop-2-enylsulfanylpent-1-yne (PubChem CID 10464413) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 5-prop-2-enylsulfanylpent-1-yne.

Molecular Properties

Compound Name5-prop-2-enylsulfanylpent-1-yne
PubChem CID10464413
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name5-prop-2-enylsulfanylpent-1-yne
SMILESC#CCCCSCC=C
InChIInChI=1S/C8H12S/c1-3-5-6-8-9-7-4-2/h1,4H,2,5-8H2
InChIKeyXYFCPAOSEVEQIZ-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylsulfanylpent-1-yne?
The IUPAC name of 5-prop-2-enylsulfanylpent-1-yne (CID 10464413) is 5-prop-2-enylsulfanylpent-1-yne.
What is the SMILES notation for 5-prop-2-enylsulfanylpent-1-yne?
The canonical SMILES for 5-prop-2-enylsulfanylpent-1-yne is C#CCCCSCC=C.
What is the InChIKey of 5-prop-2-enylsulfanylpent-1-yne?
The InChIKey is XYFCPAOSEVEQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-5-6-8-9-7-4-2/h1,4H,2,5-8H2.
What are the key properties of 5-prop-2-enylsulfanylpent-1-yne?
5-prop-2-enylsulfanylpent-1-yne has a molecular weight of 140.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylsulfanylpent-1-yne is sourced from PubChem (CID 10464413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).