(E)-1-hydroxysulfanylbut-1-ene

C4H8OS — CID 87828817

IUPAC(E)-1-hydroxysulfanylbut-1-ene
SMILESCC/C=C/SO
InChIInChI=1S/C4H8OS/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+
InChIKeyNGMITSIERXESJI-ONEGZZNKSA-N
MW104.17 g/mol
LogP2.12
Rot. Bonds2

About (E)-1-hydroxysulfanylbut-1-ene

(E)-1-hydroxysulfanylbut-1-ene (PubChem CID 87828817) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is (E)-1-hydroxysulfanylbut-1-ene.

Molecular Properties

Compound Name(E)-1-hydroxysulfanylbut-1-ene
PubChem CID87828817
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name(E)-1-hydroxysulfanylbut-1-ene
SMILESCC/C=C/SO
InChIInChI=1S/C4H8OS/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+
InChIKeyNGMITSIERXESJI-ONEGZZNKSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-hydroxysulfanylbut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-but-2-enyl]-hydroxy-sulfanylidene-lambda4-sulfane
CID 88354352
Hydroxy-prop-1-enyl-prop-1-enylsulfanylsulfanium
CID 25200944
But-3-en-2-yl-hydroxy-sulfanylidene-lambda4-sulfane
CID 22447203
1-Methylsulfinylbut-1-ene
CID 54208852
(E)-1-methylsulfinylbut-1-ene
CID 90797489
But-1-ene-1-sulfonic acid
CID 54426367
3-Hydroxysulfanylbut-1-ene
CID 134928907
(E)-but-1-ene-1-sulfonic acid
CID 13761983
But-3-ene-2-sulfinic acid
CID 21202960
But-3-enyl-hydroxy-sulfanylidene-lambda4-sulfane
CID 22447205
Hexa-1,5-dien-3-yl-hydroxy-sulfanylidene-lambda4-sulfane
CID 54507339
1,1-dihydroxy-4H-thiopyran
CID 54547183

Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxysulfanylbut-1-ene?
The IUPAC name of (E)-1-hydroxysulfanylbut-1-ene (CID 87828817) is (E)-1-hydroxysulfanylbut-1-ene.
What is the SMILES notation for (E)-1-hydroxysulfanylbut-1-ene?
The canonical SMILES for (E)-1-hydroxysulfanylbut-1-ene is CC/C=C/SO.
What is the InChIKey of (E)-1-hydroxysulfanylbut-1-ene?
The InChIKey is NGMITSIERXESJI-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8OS/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-hydroxysulfanylbut-1-ene?
(E)-1-hydroxysulfanylbut-1-ene has a molecular weight of 104.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxysulfanylbut-1-ene is sourced from PubChem (CID 87828817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).