1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea

C12H18N2O2S — CID 8620154

IUPAC1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
SMILESCCOc1ccc(NC(=S)NCCOC)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11-6-4-10(5-7-11)14-12(17)13-8-9-15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,17)
InChIKeyZPZUMNUPHLENOG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.02
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea

1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea (PubChem CID 8620154) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
PubChem CID8620154
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
SMILESCCOc1ccc(NC(=S)NCCOC)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11-6-4-10(5-7-11)14-12(17)13-8-9-15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,17)
InChIKeyZPZUMNUPHLENOG-UHFFFAOYSA-N
XLogP2.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.02
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-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 100584082
1-(3,4-diethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8660360
2-[(4-ethoxyphenyl)carbamothioylamino]ethyl-dimethylazanium
CID 7470108
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
CID 2218771
1-(4-ethoxyphenyl)-3-(3-methylsulfanylpropyl)thiourea
CID 8620160
1-(3,5-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]thiourea
CID 9218473
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 3924940

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea (CID 8620154) is 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea is CCOc1ccc(NC(=S)NCCOC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is ZPZUMNUPHLENOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-16-11-6-4-10(5-7-11)14-12(17)13-8-9-15-2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea?
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 254.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 8620154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).