1-(3-ethoxyphenyl)-3-phenylthiourea

C15H16N2OS — CID 3249532

IUPAC1-(3-ethoxyphenyl)-3-phenylthiourea
SMILESCCOc1cccc(NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C15H16N2OS/c1-2-18-14-10-6-9-13(11-14)17-15(19)16-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,16,17,19)
InChIKeyBYWQFRDMKFVNPU-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.89
Rot. Bonds4

About 1-(3-ethoxyphenyl)-3-phenylthiourea

1-(3-ethoxyphenyl)-3-phenylthiourea (PubChem CID 3249532) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-phenylthiourea
PubChem CID3249532
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(3-ethoxyphenyl)-3-phenylthiourea
SMILESCCOc1cccc(NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C15H16N2OS/c1-2-18-14-10-6-9-13(11-14)17-15(19)16-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,16,17,19)
InChIKeyBYWQFRDMKFVNPU-UHFFFAOYSA-N
XLogP3.89
TPSA33.29 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 ≤ 53.89
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

1-phenyl-3-(3-propoxyphenyl)thiourea
CID 17096649
1-(3-hexoxyphenyl)-3-phenylthiourea
CID 17094723
1-(3-ethoxyphenyl)-3-[(3-ethoxyphenyl)methyl]thiourea
CID 100633173
1-(3-ethoxyphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154922
1-(3-ethoxyphenyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 100763102
1-[(3-ethoxyphenyl)methyl]-3-(3-methoxyphenyl)thiourea
CID 100632641
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-phenylthiourea?
The IUPAC name of 1-(3-ethoxyphenyl)-3-phenylthiourea (CID 3249532) is 1-(3-ethoxyphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-phenylthiourea is CCOc1cccc(NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-phenylthiourea?
The InChIKey is BYWQFRDMKFVNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-18-14-10-6-9-13(11-14)17-15(19)16-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-ethoxyphenyl)-3-phenylthiourea?
1-(3-ethoxyphenyl)-3-phenylthiourea has a molecular weight of 272.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-3-phenylthiourea is sourced from PubChem (CID 3249532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).