(3-phenoxyphenyl)thiourea

C13H12N2OS — CID 5277305

IUPAC(3-phenoxyphenyl)thiourea
SMILESNC(=S)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12N2OS/c14-13(17)15-10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15,17)
InChIKeyNYAJJEYQQQLXHZ-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.13
Rot. Bonds3

About (3-phenoxyphenyl)thiourea

(3-phenoxyphenyl)thiourea (PubChem CID 5277305) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (3-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name(3-phenoxyphenyl)thiourea
PubChem CID5277305
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(3-phenoxyphenyl)thiourea
SMILESNC(=S)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12N2OS/c14-13(17)15-10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15,17)
InChIKeyNYAJJEYQQQLXHZ-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.13
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

Etocarlide
CID 667483
N-(4-Methoxyphenyl)-N'-phenylthiourea
CID 686507
1-(2,5-Dimethoxyphenyl)-3-phenyl-2-thiourea
CID 730557
4-Thioureidoanisole
CID 667549
N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
5-Ethoxy-2-mercaptobenzimidazole
CID 790793
3-Ureidoanisole
CID 101483
1,3-Bis(4-methoxyphenyl)thiourea
CID 706970
3-Phenoxyaniline
CID 77135
1-(4-Hydroxyphenyl)-3-(3-methoxyphenyl)thiourea
CID 2803091
[4-[(3-Phenoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70694602
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)thiourea?
The IUPAC name of (3-phenoxyphenyl)thiourea (CID 5277305) is (3-phenoxyphenyl)thiourea.
What is the SMILES notation for (3-phenoxyphenyl)thiourea?
The canonical SMILES for (3-phenoxyphenyl)thiourea is NC(=S)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3-phenoxyphenyl)thiourea?
The InChIKey is NYAJJEYQQQLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-13(17)15-10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15,17).
What are the key properties of (3-phenoxyphenyl)thiourea?
(3-phenoxyphenyl)thiourea has a molecular weight of 244.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)thiourea is sourced from PubChem (CID 5277305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).