but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane

C4H8OS2 — CID 22447205

IUPACbut-3-enyl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CCCS(O)=S
InChIInChI=1S/C4H8OS2/c1-2-3-4-7(5)6/h2H,1,3-4H2,(H,5,6)
InChIKeyCMBLPELDHPJDIX-UHFFFAOYSA-N
MW136.24 g/mol
LogP1.12
Rot. Bonds3

About but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane

but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane (PubChem CID 22447205) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namebut-3-enyl-hydroxy-sulfanylidene-λ4-sulfane
PubChem CID22447205
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Namebut-3-enyl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CCCS(O)=S
InChIInChI=1S/C4H8OS2/c1-2-3-4-7(5)6/h2H,1,3-4H2,(H,5,6)
InChIKeyCMBLPELDHPJDIX-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 51.12
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
[(E)-but-2-enyl]-hydroxy-sulfanylidene-lambda4-sulfane
CID 88354352
But-3-en-2-yl-hydroxy-sulfanylidene-lambda4-sulfane
CID 22447203
1-Hydroxysulfanylbut-1-ene
CID 145860117
3-Hydroxysulfanylbut-1-ene
CID 134928907
Hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-lambda4-sulfane
CID 54507339
1,1-dihydroxy-4H-thiopyran
CID 54547183
4-Prop-2-enylsulfinylsulfanylbut-1-ene
CID 59060499
4-But-3-enylsulfanyloxysulfanylbut-1-ene
CID 87216607
4-Prop-2-enylsulfanylsulfinylbut-1-ene
CID 88180883
But-3-enyl-hydroxy-oxo-sulfanylidene-lambda6-sulfane
CID 88330681

Frequently Asked Questions

What is the IUPAC name of but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane?
The IUPAC name of but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane (CID 22447205) is but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane.
What is the SMILES notation for but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane?
The canonical SMILES for but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane is C=CCCS(O)=S.
What is the InChIKey of but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane?
The InChIKey is CMBLPELDHPJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2/c1-2-3-4-7(5)6/h2H,1,3-4H2,(H,5,6).
What are the key properties of but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane?
but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane has a molecular weight of 136.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-hydroxy-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 22447205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).