1-methylsulfanylpent-4-en-2-ol

C6H12OS — CID 62693386

IUPAC1-methylsulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSC
InChIInChI=1S/C6H12OS/c1-3-4-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyKYZDVAKPXLSDEG-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds4

About 1-methylsulfanylpent-4-en-2-ol

1-methylsulfanylpent-4-en-2-ol (PubChem CID 62693386) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-methylsulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name1-methylsulfanylpent-4-en-2-ol
PubChem CID62693386
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-methylsulfanylpent-4-en-2-ol
SMILESC=CCC(O)CSC
InChIInChI=1S/C6H12OS/c1-3-4-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyKYZDVAKPXLSDEG-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpent-4-en-2-ol?
The IUPAC name of 1-methylsulfanylpent-4-en-2-ol (CID 62693386) is 1-methylsulfanylpent-4-en-2-ol.
What is the SMILES notation for 1-methylsulfanylpent-4-en-2-ol?
The canonical SMILES for 1-methylsulfanylpent-4-en-2-ol is C=CCC(O)CSC.
What is the InChIKey of 1-methylsulfanylpent-4-en-2-ol?
The InChIKey is KYZDVAKPXLSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-4-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 1-methylsulfanylpent-4-en-2-ol?
1-methylsulfanylpent-4-en-2-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 1-methylsulfanylpent-4-en-2-ol is sourced from PubChem (CID 62693386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).