(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene

C9H12S — CID 89037486

IUPAC(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene
SMILESC=C/C=C/S/C=C\C=C\C
InChIInChI=1S/C9H12S/c1-3-5-7-9-10-8-6-4-2/h3-9H,2H2,1H3/b5-3+,8-6+,9-7-
InChIKeyLTNKGFYUWWDYDQ-UUHJAJEKSA-N
MW152.26 g/mol
LogP3.51
Rot. Bonds4

About (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene

(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene (PubChem CID 89037486) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene
PubChem CID89037486
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene
SMILESC=C/C=C/S/C=C\C=C\C
InChIInChI=1S/C9H12S/c1-3-5-7-9-10-8-6-4-2/h3-9H,2H2,1H3/b5-3+,8-6+,9-7-
InChIKeyLTNKGFYUWWDYDQ-UUHJAJEKSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene 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

hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287
(3E)-penta-1,3-diene
CID 71777643
1-ethenylsulfanylbuta-1,3-diene
CID 86260156
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
(3E)-penta-1,3-diene;hydrochloride
CID 87892930

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene?
The IUPAC name of (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene (CID 89037486) is (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene.
What is the SMILES notation for (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene?
The canonical SMILES for (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene is C=C/C=C/S/C=C\C=C\C.
What is the InChIKey of (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene?
The InChIKey is LTNKGFYUWWDYDQ-UUHJAJEKSA-N. The full InChI is InChI=1S/C9H12S/c1-3-5-7-9-10-8-6-4-2/h3-9H,2H2,1H3/b5-3+,8-6+,9-7-.
What are the key properties of (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene?
(1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene has a molecular weight of 152.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-[(1E)-buta-1,3-dienyl]sulfanylpenta-1,3-diene is sourced from PubChem (CID 89037486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).