2-but-2-enylsulfanylbutane

C8H16S — CID 72586716

IUPAC2-but-2-enylsulfanylbutane
SMILESCC=CCSC(C)CC
InChIInChI=1S/C8H16S/c1-4-6-7-9-8(3)5-2/h4,6,8H,5,7H2,1-3H3
InChIKeyRIVXNDKUWBEDLC-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.09
Rot. Bonds4

About 2-but-2-enylsulfanylbutane

2-but-2-enylsulfanylbutane (PubChem CID 72586716) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-but-2-enylsulfanylbutane.

Molecular Properties

Compound Name2-but-2-enylsulfanylbutane
PubChem CID72586716
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2-but-2-enylsulfanylbutane
SMILESCC=CCSC(C)CC
InChIInChI=1S/C8H16S/c1-4-6-7-9-8(3)5-2/h4,6,8H,5,7H2,1-3H3
InChIKeyRIVXNDKUWBEDLC-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylsulfanylbutane?
The IUPAC name of 2-but-2-enylsulfanylbutane (CID 72586716) is 2-but-2-enylsulfanylbutane.
What is the SMILES notation for 2-but-2-enylsulfanylbutane?
The canonical SMILES for 2-but-2-enylsulfanylbutane is CC=CCSC(C)CC.
What is the InChIKey of 2-but-2-enylsulfanylbutane?
The InChIKey is RIVXNDKUWBEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-4-6-7-9-8(3)5-2/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 2-but-2-enylsulfanylbutane?
2-but-2-enylsulfanylbutane has a molecular weight of 144.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylsulfanylbutane is sourced from PubChem (CID 72586716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).