4-ethenylsulfanylbutan-1-ol

C6H12OS — CID 23020083

IUPAC4-ethenylsulfanylbutan-1-ol
SMILESC=CSCCCCO
InChIInChI=1S/C6H12OS/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
InChIKeyDMWSIWRPIIMEQX-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.64
Rot. Bonds5

About 4-ethenylsulfanylbutan-1-ol

4-ethenylsulfanylbutan-1-ol (PubChem CID 23020083) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 4-ethenylsulfanylbutan-1-ol.

Molecular Properties

Compound Name4-ethenylsulfanylbutan-1-ol
PubChem CID23020083
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name4-ethenylsulfanylbutan-1-ol
SMILESC=CSCCCCO
InChIInChI=1S/C6H12OS/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
InChIKeyDMWSIWRPIIMEQX-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylthio)butanol
CID 519793
Ethanol, 2-(ethenylthio)-
CID 520498
3-(Methylthio)-1-butanol
CID 22934579
2-(4-Fluorobutylsulfanyl)ethenol
CID 175588429
2-Methylsulfanylbutan-1-ol
CID 15720791
4-Hydroxybutyl(dimethyl)sulfanium
CID 20322168
1-Methylsulfanylbutan-1-ol
CID 21566663
3-Ethenylsulfanylpropan-1-ol
CID 23020084
Sodium 4-ethenylsulfanylbutan-1-ol
CID 60070960
(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol
CID 90436677
4-Ethenylsulfanyl-2-iodobutan-1-ol
CID 117758085
5-Ethenylsulfanylpentan-1-ol
CID 123971033

Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanylbutan-1-ol?
The IUPAC name of 4-ethenylsulfanylbutan-1-ol (CID 23020083) is 4-ethenylsulfanylbutan-1-ol.
What is the SMILES notation for 4-ethenylsulfanylbutan-1-ol?
The canonical SMILES for 4-ethenylsulfanylbutan-1-ol is C=CSCCCCO.
What is the InChIKey of 4-ethenylsulfanylbutan-1-ol?
The InChIKey is DMWSIWRPIIMEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2.
What are the key properties of 4-ethenylsulfanylbutan-1-ol?
4-ethenylsulfanylbutan-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanylbutan-1-ol is sourced from PubChem (CID 23020083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).