2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide

C15H15NO2S — CID 55057221

IUPAC2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
SMILESCOc1ccccc1Oc1cc(C)ccc1C(N)=S
InChIInChI=1S/C15H15NO2S/c1-10-7-8-11(15(16)19)14(9-10)18-13-6-4-3-5-12(13)17-2/h3-9H,1-2H3,(H2,16,19)
InChIKeyQHHJGPZFGVDKGF-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.43
Rot. Bonds4

About 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide

2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide (PubChem CID 55057221) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
PubChem CID55057221
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
SMILESCOc1ccccc1Oc1cc(C)ccc1C(N)=S
InChIInChI=1S/C15H15NO2S/c1-10-7-8-11(15(16)19)14(9-10)18-13-6-4-3-5-12(13)17-2/h3-9H,1-2H3,(H2,16,19)
InChIKeyQHHJGPZFGVDKGF-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

2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzenecarbothioamide
CID 107712493
4-methoxy-2-(2-methylphenoxy)benzenecarbothioamide
CID 81303184
4-methyl-2-(3-methylphenoxy)benzenecarbothioamide
CID 62301443
4-methyl-2-naphthalen-2-yloxybenzenecarbothioamide
CID 63519289
2-(3,5-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 55224434
2-(3,4-dimethylphenoxy)-4-methylbenzenecarbothioamide
CID 62301441
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarbothioamide
CID 107658141
2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
CID 107929491
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarbothioamide
CID 64856176
4-chloro-2-(2-chloro-5-methylphenoxy)benzenecarbothioamide
CID 63520175
[2-(2-methoxyphenoxy)-4-methylphenyl]methanamine
CID 62306948
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide?
The IUPAC name of 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide (CID 55057221) is 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide is COc1ccccc1Oc1cc(C)ccc1C(N)=S.
What is the InChIKey of 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide?
The InChIKey is QHHJGPZFGVDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-7-8-11(15(16)19)14(9-10)18-13-6-4-3-5-12(13)17-2/h3-9H,1-2H3,(H2,16,19).
What are the key properties of 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide?
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide 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 2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide is sourced from PubChem (CID 55057221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).