(E)-4-ethylsulfanylbut-2-en-1-ol

C6H12OS — CID 88591349

IUPAC(E)-4-ethylsulfanylbut-2-en-1-ol
SMILESCCSC/C=C/CO
InChIInChI=1S/C6H12OS/c1-2-8-6-4-3-5-7/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKeyNOMMPRAZQORMNB-ONEGZZNKSA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds4

About (E)-4-ethylsulfanylbut-2-en-1-ol

(E)-4-ethylsulfanylbut-2-en-1-ol (PubChem CID 88591349) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-4-ethylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-ethylsulfanylbut-2-en-1-ol
PubChem CID88591349
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-4-ethylsulfanylbut-2-en-1-ol
SMILESCCSC/C=C/CO
InChIInChI=1S/C6H12OS/c1-2-8-6-4-3-5-7/h3-4,7H,2,5-6H2,1H3/b4-3+
InChIKeyNOMMPRAZQORMNB-ONEGZZNKSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethylsulfanylbut-2-en-1-ol?
The IUPAC name of (E)-4-ethylsulfanylbut-2-en-1-ol (CID 88591349) is (E)-4-ethylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-ethylsulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-4-ethylsulfanylbut-2-en-1-ol is CCSC/C=C/CO.
What is the InChIKey of (E)-4-ethylsulfanylbut-2-en-1-ol?
The InChIKey is NOMMPRAZQORMNB-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-8-6-4-3-5-7/h3-4,7H,2,5-6H2,1H3/b4-3+.
What are the key properties of (E)-4-ethylsulfanylbut-2-en-1-ol?
(E)-4-ethylsulfanylbut-2-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 88591349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).