2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol

C16H13N3O2S — CID 3245651

IUPAC2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol
SMILESCSc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H13N3O2S/c1-22-16-18-14(10-6-2-4-8-12(10)20)17-15(19-16)11-7-3-5-9-13(11)21/h2-9,20-21H,1H3
InChIKeyQZDDWFSYSTWNEL-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.34
Rot. Bonds3

About 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol

2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol (PubChem CID 3245651) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol
PubChem CID3245651
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol
SMILESCSc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1
InChIInChI=1S/C16H13N3O2S/c1-22-16-18-14(10-6-2-4-8-12(10)20)17-15(19-16)11-7-3-5-9-13(11)21/h2-9,20-21H,1H3
InChIKeyQZDDWFSYSTWNEL-UHFFFAOYSA-N
XLogP3.34
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol (CID 3245651) is 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol is CSc1nc(-c2ccccc2O)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol?
The InChIKey is QZDDWFSYSTWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-22-16-18-14(10-6-2-4-8-12(10)20)17-15(19-16)11-7-3-5-9-13(11)21/h2-9,20-21H,1H3.
What are the key properties of 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol?
2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 311.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 3245651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).