(4-phenylmethoxyphenyl)methylthiourea

C15H16N2OS — CID 5277334

IUPAC(4-phenylmethoxyphenyl)methylthiourea
SMILESNC(=S)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H16N2OS/c16-15(19)17-10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,16,17,19)
InChIKeyDULGOHBKUFMUTQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.60
Rot. Bonds5

About (4-phenylmethoxyphenyl)methylthiourea

(4-phenylmethoxyphenyl)methylthiourea (PubChem CID 5277334) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)methylthiourea.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)methylthiourea
PubChem CID5277334
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(4-phenylmethoxyphenyl)methylthiourea
SMILESNC(=S)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H16N2OS/c16-15(19)17-10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,16,17,19)
InChIKeyDULGOHBKUFMUTQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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-[(4-phenylmethoxyphenyl)methyl]thiourea
CID 168880124
sodium;benzylthiourea;hydride
CID 173079334
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)methylthiourea?
The IUPAC name of (4-phenylmethoxyphenyl)methylthiourea (CID 5277334) is (4-phenylmethoxyphenyl)methylthiourea.
What is the SMILES notation for (4-phenylmethoxyphenyl)methylthiourea?
The canonical SMILES for (4-phenylmethoxyphenyl)methylthiourea is NC(=S)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl)methylthiourea?
The InChIKey is DULGOHBKUFMUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c16-15(19)17-10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,16,17,19).
What are the key properties of (4-phenylmethoxyphenyl)methylthiourea?
(4-phenylmethoxyphenyl)methylthiourea has a molecular weight of 272.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)methylthiourea is sourced from PubChem (CID 5277334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).