4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol

C20H15N3O2S — CID 25031143

IUPAC4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
SMILESOc1ccc(-n2nnc(S)c2-c2ccccc2-c2ccccc2)c(O)c1
InChIInChI=1S/C20H15N3O2S/c24-14-10-11-17(18(25)12-14)23-19(20(26)21-22-23)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12,24-26H
InChIKeyWVGFMPBFGBVGGH-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.30
Rot. Bonds3

About 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol

4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol (PubChem CID 25031143) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
PubChem CID25031143
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
SMILESOc1ccc(-n2nnc(S)c2-c2ccccc2-c2ccccc2)c(O)c1
InChIInChI=1S/C20H15N3O2S/c24-14-10-11-17(18(25)12-14)23-19(20(26)21-22-23)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12,24-26H
InChIKeyWVGFMPBFGBVGGH-UHFFFAOYSA-N
XLogP4.30
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-Fluoro-2-methylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031231
4-[5-(4-Fluorophenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031235
5-Fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol
CID 25031324
4-[5-(3-Fluorophenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031326
4-[5-(2,3-Difluorophenyl)-4-hydroxytriazol-1-yl]benzene-1,3-diol
CID 66921717
4-[5-(2,6-Diethylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031059
4-[5-(2-Ethyl-6-methylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031060
4-[5-[2,6-Di(propan-2-yl)phenyl]-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031061
4-(5-Anthracen-1-yl-4-sulfanyltriazol-1-yl)benzene-1,3-diol
CID 25031144
4-[4-Sulfanyl-5-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]benzene-1,3-diol
CID 25031145
4-(5-Pyren-1-yl-4-sulfanyltriazol-1-yl)benzene-1,3-diol
CID 25031147
4-[5-(5-Methoxynaphthalen-1-yl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol
CID 25031148

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol?
The IUPAC name of 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol (CID 25031143) is 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol?
The canonical SMILES for 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol is Oc1ccc(-n2nnc(S)c2-c2ccccc2-c2ccccc2)c(O)c1.
What is the InChIKey of 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol?
The InChIKey is WVGFMPBFGBVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-14-10-11-17(18(25)12-14)23-19(20(26)21-22-23)16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-12,24-26H.
What are the key properties of 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol?
4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol has a molecular weight of 361.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylphenyl)-4-sulfanyltriazol-1-yl]benzene-1,3-diol is sourced from PubChem (CID 25031143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).