2-but-3-ynylsulfanylethylcyclopropane

C9H14S — CID 130978017

IUPAC2-but-3-ynylsulfanylethylcyclopropane
SMILESC#CCCSCCC1CC1
InChIInChI=1S/C9H14S/c1-2-3-7-10-8-6-9-4-5-9/h1,9H,3-8H2
InChIKeyCRCXBUPWINDYOI-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.54
Rot. Bonds5

About 2-but-3-ynylsulfanylethylcyclopropane

2-but-3-ynylsulfanylethylcyclopropane (PubChem CID 130978017) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-but-3-ynylsulfanylethylcyclopropane.

Molecular Properties

Compound Name2-but-3-ynylsulfanylethylcyclopropane
PubChem CID130978017
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-but-3-ynylsulfanylethylcyclopropane
SMILESC#CCCSCCC1CC1
InChIInChI=1S/C9H14S/c1-2-3-7-10-8-6-9-4-5-9/h1,9H,3-8H2
InChIKeyCRCXBUPWINDYOI-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
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 2-but-3-ynylsulfanylethylcyclopropane?
The IUPAC name of 2-but-3-ynylsulfanylethylcyclopropane (CID 130978017) is 2-but-3-ynylsulfanylethylcyclopropane.
What is the SMILES notation for 2-but-3-ynylsulfanylethylcyclopropane?
The canonical SMILES for 2-but-3-ynylsulfanylethylcyclopropane is C#CCCSCCC1CC1.
What is the InChIKey of 2-but-3-ynylsulfanylethylcyclopropane?
The InChIKey is CRCXBUPWINDYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-2-3-7-10-8-6-9-4-5-9/h1,9H,3-8H2.
What are the key properties of 2-but-3-ynylsulfanylethylcyclopropane?
2-but-3-ynylsulfanylethylcyclopropane has a molecular weight of 154.28 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 2-but-3-ynylsulfanylethylcyclopropane is sourced from PubChem (CID 130978017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).