2-(3-phenoxyphenyl)sulfanylacetyl chloride

C14H11ClO2S — CID 102269426

IUPAC2-(3-phenoxyphenyl)sulfanylacetyl chloride
SMILESO=C(Cl)CSc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11ClO2S/c15-14(16)10-18-13-8-4-7-12(9-13)17-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyWWUIZGQQCCBYIL-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.34
Rot. Bonds5

About 2-(3-phenoxyphenyl)sulfanylacetyl chloride

2-(3-phenoxyphenyl)sulfanylacetyl chloride (PubChem CID 102269426) has the molecular formula C14H11ClO2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)sulfanylacetyl chloride.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)sulfanylacetyl chloride
PubChem CID102269426
Molecular FormulaC14H11ClO2S
Molecular Weight278.76 g/mol
Exact Mass278.02
IUPAC Name2-(3-phenoxyphenyl)sulfanylacetyl chloride
SMILESO=C(Cl)CSc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11ClO2S/c15-14(16)10-18-13-8-4-7-12(9-13)17-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyWWUIZGQQCCBYIL-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)sulfanylacetyl chloride?
The IUPAC name of 2-(3-phenoxyphenyl)sulfanylacetyl chloride (CID 102269426) is 2-(3-phenoxyphenyl)sulfanylacetyl chloride.
What is the SMILES notation for 2-(3-phenoxyphenyl)sulfanylacetyl chloride?
The canonical SMILES for 2-(3-phenoxyphenyl)sulfanylacetyl chloride is O=C(Cl)CSc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)sulfanylacetyl chloride?
The InChIKey is WWUIZGQQCCBYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2S/c15-14(16)10-18-13-8-4-7-12(9-13)17-11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-(3-phenoxyphenyl)sulfanylacetyl chloride?
2-(3-phenoxyphenyl)sulfanylacetyl chloride has a molecular weight of 278.76 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)sulfanylacetyl chloride is sourced from PubChem (CID 102269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).