1-prop-2-ynylsulfanylpentane

C8H14S — CID 525487

IUPAC1-prop-2-ynylsulfanylpentane
SMILESC#CCSCCCCC
InChIInChI=1S/C8H14S/c1-3-5-6-8-9-7-4-2/h2H,3,5-8H2,1H3
InChIKeyOAENEVQWITZHNM-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.54
Rot. Bonds5

About 1-prop-2-ynylsulfanylpentane

1-prop-2-ynylsulfanylpentane (PubChem CID 525487) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-prop-2-ynylsulfanylpentane.

Molecular Properties

Compound Name1-prop-2-ynylsulfanylpentane
PubChem CID525487
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-prop-2-ynylsulfanylpentane
SMILESC#CCSCCCCC
InChIInChI=1S/C8H14S/c1-3-5-6-8-9-7-4-2/h2H,3,5-8H2,1H3
InChIKeyOAENEVQWITZHNM-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylsulfanylpentane?
The IUPAC name of 1-prop-2-ynylsulfanylpentane (CID 525487) is 1-prop-2-ynylsulfanylpentane.
What is the SMILES notation for 1-prop-2-ynylsulfanylpentane?
The canonical SMILES for 1-prop-2-ynylsulfanylpentane is C#CCSCCCCC.
What is the InChIKey of 1-prop-2-ynylsulfanylpentane?
The InChIKey is OAENEVQWITZHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-5-6-8-9-7-4-2/h2H,3,5-8H2,1H3.
What are the key properties of 1-prop-2-ynylsulfanylpentane?
1-prop-2-ynylsulfanylpentane has a molecular weight of 142.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylsulfanylpentane is sourced from PubChem (CID 525487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).