5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol

C14H15NOS — CID 144577557

IUPAC5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol
SMILESCNc1cccc(Sc2ccc(C)cc2O)c1
InChIInChI=1S/C14H15NOS/c1-10-6-7-14(13(16)8-10)17-12-5-3-4-11(9-12)15-2/h3-9,15-16H,1-2H3
InChIKeyVYFUUZSLLDKGCA-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.89
Rot. Bonds3

About 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol

5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol (PubChem CID 144577557) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol.

Molecular Properties

Compound Name5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol
PubChem CID144577557
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol
SMILESCNc1cccc(Sc2ccc(C)cc2O)c1
InChIInChI=1S/C14H15NOS/c1-10-6-7-14(13(16)8-10)17-12-5-3-4-11(9-12)15-2/h3-9,15-16H,1-2H3
InChIKeyVYFUUZSLLDKGCA-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol?
The IUPAC name of 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol (CID 144577557) is 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol.
What is the SMILES notation for 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol?
The canonical SMILES for 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol is CNc1cccc(Sc2ccc(C)cc2O)c1.
What is the InChIKey of 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol?
The InChIKey is VYFUUZSLLDKGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-6-7-14(13(16)8-10)17-12-5-3-4-11(9-12)15-2/h3-9,15-16H,1-2H3.
What are the key properties of 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol?
5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol has a molecular weight of 245.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(methylamino)phenyl]sulfanylphenol is sourced from PubChem (CID 144577557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).