1-(2-ethenylphenyl)ethanethiol

C10H12S — CID 22186241

IUPAC1-(2-ethenylphenyl)ethanethiol
SMILESC=Cc1ccccc1C(C)S
InChIInChI=1S/C10H12S/c1-3-9-6-4-5-7-10(9)8(2)11/h3-8,11H,1H2,2H3
InChIKeyULYDVUMTZLJBCF-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.32
Rot. Bonds2

About 1-(2-ethenylphenyl)ethanethiol

1-(2-ethenylphenyl)ethanethiol (PubChem CID 22186241) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)ethanethiol.

Molecular Properties

Compound Name1-(2-ethenylphenyl)ethanethiol
PubChem CID22186241
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name1-(2-ethenylphenyl)ethanethiol
SMILESC=Cc1ccccc1C(C)S
InChIInChI=1S/C10H12S/c1-3-9-6-4-5-7-10(9)8(2)11/h3-8,11H,1H2,2H3
InChIKeyULYDVUMTZLJBCF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(2-ethenylphenyl)ethanethiol?
The IUPAC name of 1-(2-ethenylphenyl)ethanethiol (CID 22186241) is 1-(2-ethenylphenyl)ethanethiol.
What is the SMILES notation for 1-(2-ethenylphenyl)ethanethiol?
The canonical SMILES for 1-(2-ethenylphenyl)ethanethiol is C=Cc1ccccc1C(C)S.
What is the InChIKey of 1-(2-ethenylphenyl)ethanethiol?
The InChIKey is ULYDVUMTZLJBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-3-9-6-4-5-7-10(9)8(2)11/h3-8,11H,1H2,2H3.
What are the key properties of 1-(2-ethenylphenyl)ethanethiol?
1-(2-ethenylphenyl)ethanethiol has a molecular weight of 164.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)ethanethiol is sourced from PubChem (CID 22186241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).