2,3-bis(prop-2-enylsulfanyl)phenol

C12H14OS2 — CID 70364584

IUPAC2,3-bis(prop-2-enylsulfanyl)phenol
SMILESC=CCSc1cccc(O)c1SCC=C
InChIInChI=1S/C12H14OS2/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h3-7,13H,1-2,8-9H2
InChIKeyDEFBJFGQRQHHIK-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.95
Rot. Bonds6

About 2,3-bis(prop-2-enylsulfanyl)phenol

2,3-bis(prop-2-enylsulfanyl)phenol (PubChem CID 70364584) has the molecular formula C12H14OS2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2,3-bis(prop-2-enylsulfanyl)phenol.

Molecular Properties

Compound Name2,3-bis(prop-2-enylsulfanyl)phenol
PubChem CID70364584
Molecular FormulaC12H14OS2
Molecular Weight238.38 g/mol
Exact Mass238.05
IUPAC Name2,3-bis(prop-2-enylsulfanyl)phenol
SMILESC=CCSc1cccc(O)c1SCC=C
InChIInChI=1S/C12H14OS2/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h3-7,13H,1-2,8-9H2
InChIKeyDEFBJFGQRQHHIK-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-bis(prop-2-enylsulfanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enylsulfanyl)phenol?
The IUPAC name of 2,3-bis(prop-2-enylsulfanyl)phenol (CID 70364584) is 2,3-bis(prop-2-enylsulfanyl)phenol.
What is the SMILES notation for 2,3-bis(prop-2-enylsulfanyl)phenol?
The canonical SMILES for 2,3-bis(prop-2-enylsulfanyl)phenol is C=CCSc1cccc(O)c1SCC=C.
What is the InChIKey of 2,3-bis(prop-2-enylsulfanyl)phenol?
The InChIKey is DEFBJFGQRQHHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS2/c1-3-8-14-11-7-5-6-10(13)12(11)15-9-4-2/h3-7,13H,1-2,8-9H2.
What are the key properties of 2,3-bis(prop-2-enylsulfanyl)phenol?
2,3-bis(prop-2-enylsulfanyl)phenol has a molecular weight of 238.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enylsulfanyl)phenol is sourced from PubChem (CID 70364584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).