4-prop-2-enyl-2-sulfanylphenol

C9H10OS — CID 89013961

IUPAC4-prop-2-enyl-2-sulfanylphenol
SMILESC=CCc1ccc(O)c(S)c1
InChIInChI=1S/C9H10OS/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2
InChIKeyHIJSQEYKCPKOCV-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.41
Rot. Bonds2

About 4-prop-2-enyl-2-sulfanylphenol

4-prop-2-enyl-2-sulfanylphenol (PubChem CID 89013961) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 4-prop-2-enyl-2-sulfanylphenol.

Molecular Properties

Compound Name4-prop-2-enyl-2-sulfanylphenol
PubChem CID89013961
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name4-prop-2-enyl-2-sulfanylphenol
SMILESC=CCc1ccc(O)c(S)c1
InChIInChI=1S/C9H10OS/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2
InChIKeyHIJSQEYKCPKOCV-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
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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Related Compounds

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
2-prop-1-en-2-yl-4-prop-2-enylphenol
CID 175301273
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
2-butan-2-yl-4-prop-2-enylphenol
CID 155933594
CID 69284850
CID 69284850
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
2-(3-methylbutoxy)-4-prop-2-enylphenol
CID 24770349

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2-sulfanylphenol?
The IUPAC name of 4-prop-2-enyl-2-sulfanylphenol (CID 89013961) is 4-prop-2-enyl-2-sulfanylphenol.
What is the SMILES notation for 4-prop-2-enyl-2-sulfanylphenol?
The canonical SMILES for 4-prop-2-enyl-2-sulfanylphenol is C=CCc1ccc(O)c(S)c1.
What is the InChIKey of 4-prop-2-enyl-2-sulfanylphenol?
The InChIKey is HIJSQEYKCPKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c1-2-3-7-4-5-8(10)9(11)6-7/h2,4-6,10-11H,1,3H2.
What are the key properties of 4-prop-2-enyl-2-sulfanylphenol?
4-prop-2-enyl-2-sulfanylphenol has a molecular weight of 166.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-sulfanylphenol is sourced from PubChem (CID 89013961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).