hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane

C6H10OS2 — CID 54507339

IUPAChexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CCC(C=C)S(O)=S
InChIInChI=1S/C6H10OS2/c1-3-5-6(4-2)9(7)8/h3-4,6H,1-2,5H2,(H,7,8)
InChIKeyYGQMLZWPBQEOHY-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.67
Rot. Bonds4

About hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane

hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane (PubChem CID 54507339) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namehexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
PubChem CID54507339
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Namehexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CCC(C=C)S(O)=S
InChIInChI=1S/C6H10OS2/c1-3-5-6(4-2)9(7)8/h3-4,6H,1-2,5H2,(H,7,8)
InChIKeyYGQMLZWPBQEOHY-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(E)-1-butenesulfenate
CID 87828817
Hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium
CID 25200944
Hexa-1,5-dienyl trisulfide
CID 157009856
But-3-en-2-yl-hydroxy-sulfanylidene-lambda4-sulfane
CID 22447203
1-Hydroxysulfanylbut-1-ene
CID 145860117
3-Hydroxysulfanylbut-1-ene
CID 134928907
Garlicnin D
CID 60150027
3-Ethenyl-3,4-dihydrodithiine 1-oxide
CID 5315238
(1R,3R)-3-ethenyl-3,4-dihydrodithiine 1-oxide
CID 162909287
But-3-enyl-hydroxy-sulfanylidene-lambda4-sulfane
CID 22447205
4-But-3-enylsulfanyloxysulfanylbut-1-ene
CID 87216607
5-Pent-4-enylsulfanyloxysulfanylpent-1-ene
CID 87216735

Frequently Asked Questions

What is the IUPAC name of hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
The IUPAC name of hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane (CID 54507339) is hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane.
What is the SMILES notation for hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
The canonical SMILES for hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane is C=CCC(C=C)S(O)=S.
What is the InChIKey of hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
The InChIKey is YGQMLZWPBQEOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-3-5-6(4-2)9(7)8/h3-4,6H,1-2,5H2,(H,7,8).
What are the key properties of hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane?
hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane has a molecular weight of 162.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 54507339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).