4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide

C15H15NO2S — CID 81303184

IUPAC4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(Oc2ccccc2C)c1
InChIInChI=1S/C15H15NO2S/c1-10-5-3-4-6-13(10)18-14-9-11(17-2)7-8-12(14)15(16)19/h3-9H,1-2H3,(H2,16,19)
InChIKeyULLTZICJYWUDFA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.43
Rot. Bonds4

About 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide

4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide (PubChem CID 81303184) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide.

Molecular Properties

Compound Name4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide
PubChem CID81303184
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(Oc2ccccc2C)c1
InChIInChI=1S/C15H15NO2S/c1-10-5-3-4-6-13(10)18-14-9-11(17-2)7-8-12(14)15(16)19/h3-9H,1-2H3,(H2,16,19)
InChIKeyULLTZICJYWUDFA-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.43
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

1,4-dimethoxy-2-(2-methylphenoxy)benzene
CID 173173641
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarbothioamide
CID 81302587
4-(2-methylphenoxy)benzenecarbothioamide
CID 20985850
4-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzenecarbothioamide
CID 22685383
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzenecarbothioamide
CID 81298509
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
2-(2-methylphenoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 43331317
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061
4-methoxy-2-(2-methoxy-N-methylanilino)benzenecarbothioamide
CID 81298185
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzenecarbothioamide
CID 22680268
2-(2,4-dimethoxyanilino)-3-methylbenzenecarbothioamide
CID 107107680

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide?
The IUPAC name of 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide (CID 81303184) is 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide.
What is the SMILES notation for 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide?
The canonical SMILES for 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide is COc1ccc(C(N)=S)c(Oc2ccccc2C)c1.
What is the InChIKey of 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide?
The InChIKey is ULLTZICJYWUDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-5-3-4-6-13(10)18-14-9-11(17-2)7-8-12(14)15(16)19/h3-9H,1-2H3,(H2,16,19).
What are the key properties of 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide?
4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide has a molecular weight of 273.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide is sourced from PubChem (CID 81303184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).