2,3-diphenyl-4-sulfanylphenol

C18H14OS — CID 87968184

IUPAC2,3-diphenyl-4-sulfanylphenol
SMILESOc1ccc(S)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14OS/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12,19-20H
InChIKeyKHFDIGNMTSUFQP-UHFFFAOYSA-N
MW278.38 g/mol
LogP5.01
Rot. Bonds2

About 2,3-diphenyl-4-sulfanylphenol

2,3-diphenyl-4-sulfanylphenol (PubChem CID 87968184) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2,3-diphenyl-4-sulfanylphenol.

Molecular Properties

Compound Name2,3-diphenyl-4-sulfanylphenol
PubChem CID87968184
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name2,3-diphenyl-4-sulfanylphenol
SMILESOc1ccc(S)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14OS/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12,19-20H
InChIKeyKHFDIGNMTSUFQP-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.38
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-sulfanylphenol
CID 22259596
2,3-diphenyl-4-sulfanylphenol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 173205679
1-amino-8-hydroxy-2,3-diphenyl-5-sulfanylanthracene-9,10-dione
CID 18970540
4-hydroxy-2,3-diphenylbenzonitrile
CID 162768355
3,4-dimethyl-2-phenylbenzenethiol
CID 20871539
3,4-dichloro-2-phenylbenzenethiol
CID 67786652
2-hydroxy-1-phenylfluoren-9-one
CID 162516784
4-(2-methylpropyl)-2,3-diphenylbenzenethiol
CID 67506958
tris(4-hydroxy-2,3-diphenylphenyl) phosphate
CID 139835214
3,4-diphenylbenzene-1,2-dithiol
CID 22227433
2-phenyl-3-propylbenzene-1,4-diol
CID 118690325
1-phenylnaphthalene-2,7-diol
CID 118054370

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-4-sulfanylphenol?
The IUPAC name of 2,3-diphenyl-4-sulfanylphenol (CID 87968184) is 2,3-diphenyl-4-sulfanylphenol.
What is the SMILES notation for 2,3-diphenyl-4-sulfanylphenol?
The canonical SMILES for 2,3-diphenyl-4-sulfanylphenol is Oc1ccc(S)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3-diphenyl-4-sulfanylphenol?
The InChIKey is KHFDIGNMTSUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c19-15-11-12-16(20)18(14-9-5-2-6-10-14)17(15)13-7-3-1-4-8-13/h1-12,19-20H.
What are the key properties of 2,3-diphenyl-4-sulfanylphenol?
2,3-diphenyl-4-sulfanylphenol has a molecular weight of 278.38 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-4-sulfanylphenol is sourced from PubChem (CID 87968184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).