but-3-ene-1-thiol;ethoxyethane

C8H18OS — CID 88789442

IUPACbut-3-ene-1-thiol;ethoxyethane
SMILESC=CCCS.CCOCC
InChIInChI=1S/C4H10O.C4H8S/c1-3-5-4-2;1-2-3-4-5/h3-4H2,1-2H3;2,5H,1,3-4H2
InChIKeyPGOIRNYVMPQIMY-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.54
Rot. Bonds4

About but-3-ene-1-thiol;ethoxyethane

but-3-ene-1-thiol;ethoxyethane (PubChem CID 88789442) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is but-3-ene-1-thiol;ethoxyethane.

Molecular Properties

Compound Namebut-3-ene-1-thiol;ethoxyethane
PubChem CID88789442
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Namebut-3-ene-1-thiol;ethoxyethane
SMILESC=CCCS.CCOCC
InChIInChI=1S/C4H10O.C4H8S/c1-3-5-4-2;1-2-3-4-5/h3-4H2,1-2H3;2,5H,1,3-4H2
InChIKeyPGOIRNYVMPQIMY-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-ene-1-thiol;ethoxyethane?
The IUPAC name of but-3-ene-1-thiol;ethoxyethane (CID 88789442) is but-3-ene-1-thiol;ethoxyethane.
What is the SMILES notation for but-3-ene-1-thiol;ethoxyethane?
The canonical SMILES for but-3-ene-1-thiol;ethoxyethane is C=CCCS.CCOCC.
What is the InChIKey of but-3-ene-1-thiol;ethoxyethane?
The InChIKey is PGOIRNYVMPQIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8S/c1-3-5-4-2;1-2-3-4-5/h3-4H2,1-2H3;2,5H,1,3-4H2.
What are the key properties of but-3-ene-1-thiol;ethoxyethane?
but-3-ene-1-thiol;ethoxyethane has a molecular weight of 162.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ene-1-thiol;ethoxyethane is sourced from PubChem (CID 88789442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).