2-(3-sulfanylprop-1-enyl)phenol

C9H10OS — CID 169454568

IUPAC2-(3-sulfanylprop-1-enyl)phenol
SMILESOc1ccccc1C=CCS
InChIInChI=1S/C9H10OS/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6,10-11H,7H2
InChIKeySGSGOBPTKJKPTG-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.34
Rot. Bonds2

About 2-(3-sulfanylprop-1-enyl)phenol

2-(3-sulfanylprop-1-enyl)phenol (PubChem CID 169454568) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-(3-sulfanylprop-1-enyl)phenol.

Molecular Properties

Compound Name2-(3-sulfanylprop-1-enyl)phenol
PubChem CID169454568
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name2-(3-sulfanylprop-1-enyl)phenol
SMILESOc1ccccc1C=CCS
InChIInChI=1S/C9H10OS/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6,10-11H,7H2
InChIKeySGSGOBPTKJKPTG-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfanylprop-1-enyl)phenol?
The IUPAC name of 2-(3-sulfanylprop-1-enyl)phenol (CID 169454568) is 2-(3-sulfanylprop-1-enyl)phenol.
What is the SMILES notation for 2-(3-sulfanylprop-1-enyl)phenol?
The canonical SMILES for 2-(3-sulfanylprop-1-enyl)phenol is Oc1ccccc1C=CCS.
What is the InChIKey of 2-(3-sulfanylprop-1-enyl)phenol?
The InChIKey is SGSGOBPTKJKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6,10-11H,7H2.
What are the key properties of 2-(3-sulfanylprop-1-enyl)phenol?
2-(3-sulfanylprop-1-enyl)phenol has a molecular weight of 166.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfanylprop-1-enyl)phenol is sourced from PubChem (CID 169454568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).