(2-ethoxy-5-phenylphenyl)thiourea

C15H16N2OS — CID 169357905

IUPAC(2-ethoxy-5-phenylphenyl)thiourea
SMILESCCOc1ccc(-c2ccccc2)cc1NC(N)=S
InChIInChI=1S/C15H16N2OS/c1-2-18-14-9-8-12(10-13(14)17-15(16)19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17,19)
InChIKeyBQSXSNSLHPUMFG-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.41
Rot. Bonds4

About (2-ethoxy-5-phenylphenyl)thiourea

(2-ethoxy-5-phenylphenyl)thiourea (PubChem CID 169357905) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (2-ethoxy-5-phenylphenyl)thiourea.

Molecular Properties

Compound Name(2-ethoxy-5-phenylphenyl)thiourea
PubChem CID169357905
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(2-ethoxy-5-phenylphenyl)thiourea
SMILESCCOc1ccc(-c2ccccc2)cc1NC(N)=S
InChIInChI=1S/C15H16N2OS/c1-2-18-14-9-8-12(10-13(14)17-15(16)19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17,19)
InChIKeyBQSXSNSLHPUMFG-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-5-fluorophenyl)thiourea
CID 169358343
ethyl 3-[(2-methoxy-5-phenylphenyl)carbamothioylamino]butanoate
CID 4994448
2-ethoxy-5-phenylbenzenecarboximidamide
CID 83969112
(4-bromo-2-ethoxyphenyl)thiourea
CID 169357041
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
(2-prop-2-enoxyphenyl)thiourea
CID 169357900
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-phenylphenyl)thiourea?
The IUPAC name of (2-ethoxy-5-phenylphenyl)thiourea (CID 169357905) is (2-ethoxy-5-phenylphenyl)thiourea.
What is the SMILES notation for (2-ethoxy-5-phenylphenyl)thiourea?
The canonical SMILES for (2-ethoxy-5-phenylphenyl)thiourea is CCOc1ccc(-c2ccccc2)cc1NC(N)=S.
What is the InChIKey of (2-ethoxy-5-phenylphenyl)thiourea?
The InChIKey is BQSXSNSLHPUMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-18-14-9-8-12(10-13(14)17-15(16)19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17,19).
What are the key properties of (2-ethoxy-5-phenylphenyl)thiourea?
(2-ethoxy-5-phenylphenyl)thiourea has a molecular weight of 272.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-phenylphenyl)thiourea is sourced from PubChem (CID 169357905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).