2-(2-phenoxyphenyl)-6-phenylbenzenethiol

C24H18OS — CID 19734018

IUPAC2-(2-phenoxyphenyl)-6-phenylbenzenethiol
SMILESSc1c(-c2ccccc2)cccc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C24H18OS/c26-24-20(18-10-3-1-4-11-18)15-9-16-22(24)21-14-7-8-17-23(21)25-19-12-5-2-6-13-19/h1-17,26H
InChIKeyWAVMDFGMEWQBBE-UHFFFAOYSA-N
MW354.47 g/mol
LogP7.10
Rot. Bonds4

About 2-(2-phenoxyphenyl)-6-phenylbenzenethiol

2-(2-phenoxyphenyl)-6-phenylbenzenethiol (PubChem CID 19734018) has the molecular formula C24H18OS and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(2-phenoxyphenyl)-6-phenylbenzenethiol.

Molecular Properties

Compound Name2-(2-phenoxyphenyl)-6-phenylbenzenethiol
PubChem CID19734018
Molecular FormulaC24H18OS
Molecular Weight354.47 g/mol
Exact Mass354.11
IUPAC Name2-(2-phenoxyphenyl)-6-phenylbenzenethiol
SMILESSc1c(-c2ccccc2)cccc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C24H18OS/c26-24-20(18-10-3-1-4-11-18)15-9-16-22(24)21-14-7-8-17-23(21)25-19-12-5-2-6-13-19/h1-17,26H
InChIKeyWAVMDFGMEWQBBE-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1-phenyl-2-[2-[2-(2-phenylphenyl)phenoxy]phenyl]benzene
CID 67263079
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
1,3-diphenoxy-2-phenylbenzene
CID 88611434
2-phenoxy-1-[2-phenoxy-3-(2-phenylphenyl)phenoxy]-3-(2-phenylphenyl)benzene
CID 172810146
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
1-isocyanato-3-(2-phenylphenoxy)benzene
CID 139835407
2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469138
3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione
CID 142659308
2-phenoxy-3-phenylaniline
CID 68786698
(3-phenyl-2-sulfanylphenyl) 2-methylprop-2-enoate
CID 139613270

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyphenyl)-6-phenylbenzenethiol?
The IUPAC name of 2-(2-phenoxyphenyl)-6-phenylbenzenethiol (CID 19734018) is 2-(2-phenoxyphenyl)-6-phenylbenzenethiol.
What is the SMILES notation for 2-(2-phenoxyphenyl)-6-phenylbenzenethiol?
The canonical SMILES for 2-(2-phenoxyphenyl)-6-phenylbenzenethiol is Sc1c(-c2ccccc2)cccc1-c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(2-phenoxyphenyl)-6-phenylbenzenethiol?
The InChIKey is WAVMDFGMEWQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18OS/c26-24-20(18-10-3-1-4-11-18)15-9-16-22(24)21-14-7-8-17-23(21)25-19-12-5-2-6-13-19/h1-17,26H.
What are the key properties of 2-(2-phenoxyphenyl)-6-phenylbenzenethiol?
2-(2-phenoxyphenyl)-6-phenylbenzenethiol has a molecular weight of 354.47 g/mol, XLogP of 7.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyphenyl)-6-phenylbenzenethiol is sourced from PubChem (CID 19734018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).