but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane

C4H8OS2 — CID 22447203

IUPACbut-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CC(C)S(O)=S
InChIInChI=1S/C4H8OS2/c1-3-4(2)7(5)6/h3-4H,1H2,2H3,(H,5,6)
InChIKeyJEQWZEOXTGAKHK-UHFFFAOYSA-N
MW136.24 g/mol
LogP1.11
Rot. Bonds2

About but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane

but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane (PubChem CID 22447203) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namebut-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane
PubChem CID22447203
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Namebut-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane
SMILESC=CC(C)S(O)=S
InChIInChI=1S/C4H8OS2/c1-3-4(2)7(5)6/h3-4H,1H2,2H3,(H,5,6)
InChIKeyJEQWZEOXTGAKHK-UHFFFAOYSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 51.11
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
hydroxy-[(E)-prop-1-enyl]-sulfanylidene-lambda4-sulfane
CID 140163983
Butenyl methyl disulphide
CID 129776655
1-Hydroxysulfanylbut-1-ene
CID 145860117
3-Hydroxysulfanylbut-1-ene
CID 134928907
Garlicnin D
CID 60150027
3-(Methyldisulfanyl)but-1-ene
CID 21132472
But-3-enyl-hydroxy-sulfanylidene-lambda4-sulfane
CID 22447205
Hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-lambda4-sulfane
CID 54507339
But-1-ene-1-sulfinic acid
CID 85999077

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane?
The IUPAC name of but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane (CID 22447203) is but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane.
What is the SMILES notation for but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane?
The canonical SMILES for but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane is C=CC(C)S(O)=S.
What is the InChIKey of but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane?
The InChIKey is JEQWZEOXTGAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2/c1-3-4(2)7(5)6/h3-4H,1H2,2H3,(H,5,6).
What are the key properties of but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane?
but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane has a molecular weight of 136.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl-hydroxy-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 22447203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).