4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol

C14H16N2OS — CID 102924761

IUPAC4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol
SMILESCc1cc(C)nc(SCc2cc(N)ccc2O)c1
InChIInChI=1S/C14H16N2OS/c1-9-5-10(2)16-14(6-9)18-8-11-7-12(15)3-4-13(11)17/h3-7,17H,8,15H2,1-2H3
InChIKeyHOZLFIXQZFUEHD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.28
Rot. Bonds3

About 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol

4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol (PubChem CID 102924761) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol
PubChem CID102924761
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol
SMILESCc1cc(C)nc(SCc2cc(N)ccc2O)c1
InChIInChI=1S/C14H16N2OS/c1-9-5-10(2)16-14(6-9)18-8-11-7-12(15)3-4-13(11)17/h3-7,17H,8,15H2,1-2H3
InChIKeyHOZLFIXQZFUEHD-UHFFFAOYSA-N
XLogP3.28
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol?
The IUPAC name of 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol (CID 102924761) is 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol.
What is the SMILES notation for 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol?
The canonical SMILES for 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol is Cc1cc(C)nc(SCc2cc(N)ccc2O)c1.
What is the InChIKey of 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol?
The InChIKey is HOZLFIXQZFUEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-5-10(2)16-14(6-9)18-8-11-7-12(15)3-4-13(11)17/h3-7,17H,8,15H2,1-2H3.
What are the key properties of 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol?
4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol has a molecular weight of 260.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]phenol is sourced from PubChem (CID 102924761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).