[(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane

C7H10O2S2 — CID 122643479

IUPAC[(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESC=C/C=C\C=C/CS(=O)(O)=S
InChIInChI=1S/C7H10O2S2/c1-2-3-4-5-6-7-11(8,9)10/h2-6H,1,7H2,(H,8,9,10)/b4-3-,6-5-
InChIKeyFPGJCGQGAQDILG-OUPQRBNQSA-N
MW190.29 g/mol
LogP1.50
Rot. Bonds4

About [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane

[(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 122643479) has the molecular formula C7H10O2S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name[(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID122643479
Molecular FormulaC7H10O2S2
Molecular Weight190.29 g/mol
Exact Mass190.01
IUPAC Name[(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESC=C/C=C\C=C/CS(=O)(O)=S
InChIInChI=1S/C7H10O2S2/c1-2-3-4-5-6-7-11(8,9)10/h2-6H,1,7H2,(H,8,9,10)/b4-3-,6-5-
InChIKeyFPGJCGQGAQDILG-OUPQRBNQSA-N
XLogP1.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 122643479) is [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane is C=C/C=C\C=C/CS(=O)(O)=S.
What is the InChIKey of [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is FPGJCGQGAQDILG-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H10O2S2/c1-2-3-4-5-6-7-11(8,9)10/h2-6H,1,7H2,(H,8,9,10)/b4-3-,6-5-.
What are the key properties of [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane?
[(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 190.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-hepta-2,4,6-trienyl]-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 122643479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).