4-(3-ethoxyphenoxy)benzenecarbothioamide

C15H15NO2S — CID 62338264

IUPAC4-(3-ethoxyphenoxy)benzenecarbothioamide
SMILESCCOc1cccc(Oc2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C15H15NO2S/c1-2-17-13-4-3-5-14(10-13)18-12-8-6-11(7-9-12)15(16)19/h3-10H,2H2,1H3,(H2,16,19)
InChIKeyQHOWEPCKDKRTEH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.51
Rot. Bonds5

About 4-(3-ethoxyphenoxy)benzenecarbothioamide

4-(3-ethoxyphenoxy)benzenecarbothioamide (PubChem CID 62338264) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)benzenecarbothioamide.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)benzenecarbothioamide
PubChem CID62338264
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4-(3-ethoxyphenoxy)benzenecarbothioamide
SMILESCCOc1cccc(Oc2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C15H15NO2S/c1-2-17-13-4-3-5-14(10-13)18-12-8-6-11(7-9-12)15(16)19/h3-10H,2H2,1H3,(H2,16,19)
InChIKeyQHOWEPCKDKRTEH-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(3-ethoxyphenoxy)benzenecarbothioamide
CID 62948319
4-(4-ethoxyphenoxy)-2-methylbenzenecarbothioamide
CID 81277177
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622
4-bromo-2-(3-ethoxyphenoxy)benzenecarbothioamide
CID 114903739
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
4-[3-(3-fluorophenoxy)propoxy]benzenecarbothioamide
CID 43291028
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)benzenecarbothioamide?
The IUPAC name of 4-(3-ethoxyphenoxy)benzenecarbothioamide (CID 62338264) is 4-(3-ethoxyphenoxy)benzenecarbothioamide.
What is the SMILES notation for 4-(3-ethoxyphenoxy)benzenecarbothioamide?
The canonical SMILES for 4-(3-ethoxyphenoxy)benzenecarbothioamide is CCOc1cccc(Oc2ccc(C(N)=S)cc2)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)benzenecarbothioamide?
The InChIKey is QHOWEPCKDKRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-2-17-13-4-3-5-14(10-13)18-12-8-6-11(7-9-12)15(16)19/h3-10H,2H2,1H3,(H2,16,19).
What are the key properties of 4-(3-ethoxyphenoxy)benzenecarbothioamide?
4-(3-ethoxyphenoxy)benzenecarbothioamide has a molecular weight of 273.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)benzenecarbothioamide is sourced from PubChem (CID 62338264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).