hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane

C6H10OS2 — CID 154327842

IUPAChexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CC(C=CC)S(O)=S
InChIInChI=1S/C6H10OS2/c1-3-5-6(4-2)9(7)8/h3-6H,2H2,1H3,(H,7,8)
InChIKeyHEGKUUKNLLCDMZ-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.67
Rot. Bonds3

About hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane

hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane (PubChem CID 154327842) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namehexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
PubChem CID154327842
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Namehexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CC(C=CC)S(O)=S
InChIInChI=1S/C6H10OS2/c1-3-5-6(4-2)9(7)8/h3-6H,2H2,1H3,(H,7,8)
InChIKeyHEGKUUKNLLCDMZ-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
(5E)-3-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263785
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
(3S,4E)-3-ethylhexa-1,4-diene
CID 163087431
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032
(6E)-3,5-dimethylocta-1,6-diene
CID 5365812
3,6-dimethylocta-1,4,6-triene
CID 90763944
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246
buta-1,3-diene;but-2-ene;methane
CID 161269069
(2Z,5E)-4-methylhepta-2,5-dien-2-ol
CID 158634176

Frequently Asked Questions

What is the IUPAC name of hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
The IUPAC name of hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane (CID 154327842) is hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane.
What is the SMILES notation for hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
The canonical SMILES for hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane is C=CC(C=CC)S(O)=S.
What is the InChIKey of hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
The InChIKey is HEGKUUKNLLCDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5-6(4-2)9(7)8/h3-6H,2H2,1H3,(H,7,8).
What are the key properties of hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane has a molecular weight of 162.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,4-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 154327842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).