2-phenylsulfanylpyridin-4-amine

C11H10N2S — CID 1236668

IUPAC2-phenylsulfanylpyridin-4-amine
SMILESNc1ccnc(Sc2ccccc2)c1
InChIInChI=1S/C11H10N2S/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h1-8H,(H2,12,13)
InChIKeyQTHRLAXTADMPEC-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.82
Rot. Bonds2

About 2-phenylsulfanylpyridin-4-amine

2-phenylsulfanylpyridin-4-amine (PubChem CID 1236668) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-phenylsulfanylpyridin-4-amine.

Molecular Properties

Compound Name2-phenylsulfanylpyridin-4-amine
PubChem CID1236668
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-phenylsulfanylpyridin-4-amine
SMILESNc1ccnc(Sc2ccccc2)c1
InChIInChI=1S/C11H10N2S/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h1-8H,(H2,12,13)
InChIKeyQTHRLAXTADMPEC-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylpyridin-4-amine?
The IUPAC name of 2-phenylsulfanylpyridin-4-amine (CID 1236668) is 2-phenylsulfanylpyridin-4-amine.
What is the SMILES notation for 2-phenylsulfanylpyridin-4-amine?
The canonical SMILES for 2-phenylsulfanylpyridin-4-amine is Nc1ccnc(Sc2ccccc2)c1.
What is the InChIKey of 2-phenylsulfanylpyridin-4-amine?
The InChIKey is QTHRLAXTADMPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c12-9-6-7-13-11(8-9)14-10-4-2-1-3-5-10/h1-8H,(H2,12,13).
What are the key properties of 2-phenylsulfanylpyridin-4-amine?
2-phenylsulfanylpyridin-4-amine has a molecular weight of 202.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylpyridin-4-amine is sourced from PubChem (CID 1236668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).