[3-(2-phenylethoxy)phenyl]thiourea

C15H16N2OS — CID 5277317

IUPAC[3-(2-phenylethoxy)phenyl]thiourea
SMILESNC(=S)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C15H16N2OS/c16-15(19)17-13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,16,17,19)
InChIKeyNSRWDUDSMPTHKQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.96
Rot. Bonds5

About [3-(2-phenylethoxy)phenyl]thiourea

[3-(2-phenylethoxy)phenyl]thiourea (PubChem CID 5277317) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is [3-(2-phenylethoxy)phenyl]thiourea.

Molecular Properties

Compound Name[3-(2-phenylethoxy)phenyl]thiourea
PubChem CID5277317
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name[3-(2-phenylethoxy)phenyl]thiourea
SMILESNC(=S)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C15H16N2OS/c16-15(19)17-13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,16,17,19)
InChIKeyNSRWDUDSMPTHKQ-UHFFFAOYSA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(2-phenylethoxy)phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Benzyloxyaniline
CID 92892
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354
1-(3-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
CID 751698
1-Benzyl-3-(2-ethoxy-phenyl)-thiourea
CID 698382
3-[(4-iodophenyl)methoxy]-N-methylaniline
CID 76283251
N-(4-(Phenylmethoxy)phenyl)hydrazinecarbothioamide
CID 2747162
(3-Methoxyphenyl)thiourea
CID 696326
1-(M-Anisyl)-3-benzylurea
CID 2822865
1-(4-Fluorobenzyl)-3-(3-methoxyphenyl)thiourea
CID 886192
N-[4-(benzyloxy)phenyl]-N'-methylthiourea
CID 970921
7-Methoxy-4-phenylquinoline-2-thiol
CID 1277258

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethoxy)phenyl]thiourea?
The IUPAC name of [3-(2-phenylethoxy)phenyl]thiourea (CID 5277317) is [3-(2-phenylethoxy)phenyl]thiourea.
What is the SMILES notation for [3-(2-phenylethoxy)phenyl]thiourea?
The canonical SMILES for [3-(2-phenylethoxy)phenyl]thiourea is NC(=S)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of [3-(2-phenylethoxy)phenyl]thiourea?
The InChIKey is NSRWDUDSMPTHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c16-15(19)17-13-7-4-8-14(11-13)18-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,16,17,19).
What are the key properties of [3-(2-phenylethoxy)phenyl]thiourea?
[3-(2-phenylethoxy)phenyl]thiourea has a molecular weight of 272.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethoxy)phenyl]thiourea is sourced from PubChem (CID 5277317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).