2-(3-phenoxyphenyl)ethanethioamide

C14H13NOS — CID 54208261

IUPAC2-(3-phenoxyphenyl)ethanethioamide
SMILESNC(=S)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H13NOS/c15-14(17)10-11-5-4-8-13(9-11)16-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,17)
InChIKeyLHGFICAVDRUCFV-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-phenoxyphenyl)ethanethioamide

2-(3-phenoxyphenyl)ethanethioamide (PubChem CID 54208261) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)ethanethioamide
PubChem CID54208261
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-(3-phenoxyphenyl)ethanethioamide
SMILESNC(=S)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H13NOS/c15-14(17)10-11-5-4-8-13(9-11)16-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,17)
InChIKeyLHGFICAVDRUCFV-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
CID 174876749
CID 174876749
N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
CID 142649594
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
CID 163958367
CID 163958367
(3-phenoxyphenyl)methylphosphane
CID 70930904
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
butyl 2-(3-phenoxyphenyl)acetate
CID 22123808
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)ethanethioamide?
The IUPAC name of 2-(3-phenoxyphenyl)ethanethioamide (CID 54208261) is 2-(3-phenoxyphenyl)ethanethioamide.
What is the SMILES notation for 2-(3-phenoxyphenyl)ethanethioamide?
The canonical SMILES for 2-(3-phenoxyphenyl)ethanethioamide is NC(=S)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-(3-phenoxyphenyl)ethanethioamide?
The InChIKey is LHGFICAVDRUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c15-14(17)10-11-5-4-8-13(9-11)16-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,17).
What are the key properties of 2-(3-phenoxyphenyl)ethanethioamide?
2-(3-phenoxyphenyl)ethanethioamide has a molecular weight of 243.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)ethanethioamide is sourced from PubChem (CID 54208261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).