1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea

C19H24N2O2S — CID 9218473

IUPAC1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea
SMILESCCOc1ccc(OCCNC(=S)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-22-17-5-7-18(8-6-17)23-10-9-20-19(24)21-16-12-14(2)11-15(3)13-16/h5-8,11-13H,4,9-10H2,1-3H3,(H2,20,21,24)
InChIKeyAQZNFTXCZHERIX-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.07
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea

1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea (PubChem CID 9218473) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea
PubChem CID9218473
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea
SMILESCCOc1ccc(OCCNC(=S)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-22-17-5-7-18(8-6-17)23-10-9-20-19(24)21-16-12-14(2)11-15(3)13-16/h5-8,11-13H,4,9-10H2,1-3H3,(H2,20,21,24)
InChIKeyAQZNFTXCZHERIX-UHFFFAOYSA-N
XLogP4.07
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
1-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)thiourea
CID 134101285
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
2-[(4-ethoxyphenyl)carbamothioylamino]ethyl-dimethylazanium
CID 7470108
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684445
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-[8-[3-(carbamothioylamino)phenoxy]octyl]-3-(3,5-dimethylphenyl)thiourea
CID 25127312
1-(4-ethoxyphenyl)-3-(3-methylsulfanylpropyl)thiourea
CID 8620160

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea (CID 9218473) is 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea is CCOc1ccc(OCCNC(=S)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea?
The InChIKey is AQZNFTXCZHERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-22-17-5-7-18(8-6-17)23-10-9-20-19(24)21-16-12-14(2)11-15(3)13-16/h5-8,11-13H,4,9-10H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea?
1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea has a molecular weight of 344.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea is sourced from PubChem (CID 9218473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).