(3-phenylmethoxyphenyl)thiourea

C14H14N2OS — CID 5277304

IUPAC(3-phenylmethoxyphenyl)thiourea
SMILESNC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c15-14(18)16-12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H3,15,16,18)
InChIKeyZJVBHZKCEMFREY-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.92
Rot. Bonds4

About (3-phenylmethoxyphenyl)thiourea

(3-phenylmethoxyphenyl)thiourea (PubChem CID 5277304) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (3-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name(3-phenylmethoxyphenyl)thiourea
PubChem CID5277304
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(3-phenylmethoxyphenyl)thiourea
SMILESNC(=S)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c15-14(18)16-12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H3,15,16,18)
InChIKeyZJVBHZKCEMFREY-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyphenyl)thiourea?
The IUPAC name of (3-phenylmethoxyphenyl)thiourea (CID 5277304) is (3-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for (3-phenylmethoxyphenyl)thiourea?
The canonical SMILES for (3-phenylmethoxyphenyl)thiourea is NC(=S)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3-phenylmethoxyphenyl)thiourea?
The InChIKey is ZJVBHZKCEMFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-14(18)16-12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H3,15,16,18).
What are the key properties of (3-phenylmethoxyphenyl)thiourea?
(3-phenylmethoxyphenyl)thiourea has a molecular weight of 258.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyphenyl)thiourea is sourced from PubChem (CID 5277304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).