4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene

C11H20S2 — CID 59551659

IUPAC4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
SMILESC=CCCSCCCSCCC=C
InChIInChI=1S/C11H20S2/c1-3-5-8-12-10-7-11-13-9-6-4-2/h3-4H,1-2,5-11H2
InChIKeyZFNHSNMRPTVMKP-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.00
Rot. Bonds10

About 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene

4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene (PubChem CID 59551659) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene.

Molecular Properties

Compound Name4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
PubChem CID59551659
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
SMILESC=CCCSCCCSCCC=C
InChIInChI=1S/C11H20S2/c1-3-5-8-12-10-7-11-13-9-6-4-2/h3-4H,1-2,5-11H2
InChIKeyZFNHSNMRPTVMKP-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene?
The IUPAC name of 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene (CID 59551659) is 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene.
What is the SMILES notation for 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene?
The canonical SMILES for 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene is C=CCCSCCCSCCC=C.
What is the InChIKey of 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene?
The InChIKey is ZFNHSNMRPTVMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2/c1-3-5-8-12-10-7-11-13-9-6-4-2/h3-4H,1-2,5-11H2.
What are the key properties of 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene?
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene has a molecular weight of 216.41 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene is sourced from PubChem (CID 59551659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).