2-(3-hydroxyphenyl)-2-sulfanylacetamide

C8H9NO2S — CID 173431407

IUPAC2-(3-hydroxyphenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)c1cccc(O)c1
InChIInChI=1S/C8H9NO2S/c9-8(11)7(12)5-2-1-3-6(10)4-5/h1-4,7,10,12H,(H2,9,11)
InChIKeyGRTHPRHIDSKXKN-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.85
Rot. Bonds2

About 2-(3-hydroxyphenyl)-2-sulfanylacetamide

2-(3-hydroxyphenyl)-2-sulfanylacetamide (PubChem CID 173431407) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-sulfanylacetamide
PubChem CID173431407
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-(3-hydroxyphenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)c1cccc(O)c1
InChIInChI=1S/C8H9NO2S/c9-8(11)7(12)5-2-1-3-6(10)4-5/h1-4,7,10,12H,(H2,9,11)
InChIKeyGRTHPRHIDSKXKN-UHFFFAOYSA-N
XLogP0.85
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)-2-sulfanylacetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-2-sulfanylacetamide (CID 173431407) is 2-(3-hydroxyphenyl)-2-sulfanylacetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-sulfanylacetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-sulfanylacetamide is NC(=O)C(S)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-sulfanylacetamide?
The InChIKey is GRTHPRHIDSKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c9-8(11)7(12)5-2-1-3-6(10)4-5/h1-4,7,10,12H,(H2,9,11).
What are the key properties of 2-(3-hydroxyphenyl)-2-sulfanylacetamide?
2-(3-hydroxyphenyl)-2-sulfanylacetamide has a molecular weight of 183.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 173431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).