1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol

C17H17NOS — CID 89230815

IUPAC1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol
SMILESC=C(C)c1cc(N)ccc1Sc1ccccc1C(=C)O
InChIInChI=1S/C17H17NOS/c1-11(2)15-10-13(18)8-9-17(15)20-16-7-5-4-6-14(16)12(3)19/h4-10,19H,1,3,18H2,2H3
InChIKeyJRALUDHSTWKIMU-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.98
Rot. Bonds4

About 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol

1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol (PubChem CID 89230815) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol.

Molecular Properties

Compound Name1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol
PubChem CID89230815
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol
SMILESC=C(C)c1cc(N)ccc1Sc1ccccc1C(=C)O
InChIInChI=1S/C17H17NOS/c1-11(2)15-10-13(18)8-9-17(15)20-16-7-5-4-6-14(16)12(3)19/h4-10,19H,1,3,18H2,2H3
InChIKeyJRALUDHSTWKIMU-UHFFFAOYSA-N
XLogP4.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol?
The IUPAC name of 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol (CID 89230815) is 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol.
What is the SMILES notation for 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol?
The canonical SMILES for 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol is C=C(C)c1cc(N)ccc1Sc1ccccc1C(=C)O.
What is the InChIKey of 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol?
The InChIKey is JRALUDHSTWKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-11(2)15-10-13(18)8-9-17(15)20-16-7-5-4-6-14(16)12(3)19/h4-10,19H,1,3,18H2,2H3.
What are the key properties of 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol?
1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol has a molecular weight of 283.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-prop-1-en-2-ylphenyl)sulfanylphenyl]ethenol is sourced from PubChem (CID 89230815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).