4-but-3-enylsulfanyloxysulfanylbut-1-ene

C8H14OS2 — CID 87216607

IUPAC4-but-3-enylsulfanyloxysulfanylbut-1-ene
SMILESC=CCCSOSCCC=C
InChIInChI=1S/C8H14OS2/c1-3-5-7-10-9-11-8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyBMFYBYPSCICQIL-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.45
Rot. Bonds8

About 4-but-3-enylsulfanyloxysulfanylbut-1-ene

4-but-3-enylsulfanyloxysulfanylbut-1-ene (PubChem CID 87216607) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-but-3-enylsulfanyloxysulfanylbut-1-ene.

Molecular Properties

Compound Name4-but-3-enylsulfanyloxysulfanylbut-1-ene
PubChem CID87216607
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name4-but-3-enylsulfanyloxysulfanylbut-1-ene
SMILESC=CCCSOSCCC=C
InChIInChI=1S/C8H14OS2/c1-3-5-7-10-9-11-8-6-4-2/h3-4H,1-2,5-8H2
InChIKeyBMFYBYPSCICQIL-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-but-3-enylsulfanyloxysulfanylbut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyhex-5-enylsulfanyloxysulfanyl)hex-5-en-2-ol
CID 139642364
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
4-[2-(2-methoxyethoxy)ethylsulfanyl]but-1-ene
CID 152523585
heptacosa-1,26-diene
CID 58905535
(5E)-deca-1,5,9-triene
CID 5362636
heptadeca-1,16-diene
CID 6429392
4-but-3-enylsulfanylbutanenitrile
CID 126992432
N-iodobut-3-en-1-amine
CID 134427978
2-(but-3-enyldisulfanyl)pyridine
CID 89193061
methyl 3-but-3-enylsulfanyl-2-methylpropanoate
CID 64722738
5-ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
(111C)pent-1-ene
CID 177423582

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enylsulfanyloxysulfanylbut-1-ene?
The IUPAC name of 4-but-3-enylsulfanyloxysulfanylbut-1-ene (CID 87216607) is 4-but-3-enylsulfanyloxysulfanylbut-1-ene.
What is the SMILES notation for 4-but-3-enylsulfanyloxysulfanylbut-1-ene?
The canonical SMILES for 4-but-3-enylsulfanyloxysulfanylbut-1-ene is C=CCCSOSCCC=C.
What is the InChIKey of 4-but-3-enylsulfanyloxysulfanylbut-1-ene?
The InChIKey is BMFYBYPSCICQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-3-5-7-10-9-11-8-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 4-but-3-enylsulfanyloxysulfanylbut-1-ene?
4-but-3-enylsulfanyloxysulfanylbut-1-ene has a molecular weight of 190.33 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylsulfanyloxysulfanylbut-1-ene is sourced from PubChem (CID 87216607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).