but-3-ynylsulfanylmethylcyclopropane

C8H12S — CID 131020272

IUPACbut-3-ynylsulfanylmethylcyclopropane
SMILESC#CCCSCC1CC1
InChIInChI=1S/C8H12S/c1-2-3-6-9-7-8-4-5-8/h1,8H,3-7H2
InChIKeyZGKDSWAMJDGISH-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.15
Rot. Bonds4

About but-3-ynylsulfanylmethylcyclopropane

but-3-ynylsulfanylmethylcyclopropane (PubChem CID 131020272) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is but-3-ynylsulfanylmethylcyclopropane.

Molecular Properties

Compound Namebut-3-ynylsulfanylmethylcyclopropane
PubChem CID131020272
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Namebut-3-ynylsulfanylmethylcyclopropane
SMILESC#CCCSCC1CC1
InChIInChI=1S/C8H12S/c1-2-3-6-9-7-8-4-5-8/h1,8H,3-7H2
InChIKeyZGKDSWAMJDGISH-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.15
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 but-3-ynylsulfanylmethylcyclopropane?
The IUPAC name of but-3-ynylsulfanylmethylcyclopropane (CID 131020272) is but-3-ynylsulfanylmethylcyclopropane.
What is the SMILES notation for but-3-ynylsulfanylmethylcyclopropane?
The canonical SMILES for but-3-ynylsulfanylmethylcyclopropane is C#CCCSCC1CC1.
What is the InChIKey of but-3-ynylsulfanylmethylcyclopropane?
The InChIKey is ZGKDSWAMJDGISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-3-6-9-7-8-4-5-8/h1,8H,3-7H2.
What are the key properties of but-3-ynylsulfanylmethylcyclopropane?
but-3-ynylsulfanylmethylcyclopropane has a molecular weight of 140.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynylsulfanylmethylcyclopropane is sourced from PubChem (CID 131020272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).