2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol

C17H14N2S — CID 132580694

IUPAC2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol
SMILESNc1ccnc(-c2cccc(-c3ccccc3S)c2)c1
InChIInChI=1S/C17H14N2S/c18-14-8-9-19-16(11-14)13-5-3-4-12(10-13)15-6-1-2-7-17(15)20/h1-11,20H,(H2,18,19)
InChIKeyCCEGMUXTELZKOF-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.29
Rot. Bonds2

About 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol

2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol (PubChem CID 132580694) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol.

Molecular Properties

Compound Name2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol
PubChem CID132580694
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol
SMILESNc1ccnc(-c2cccc(-c3ccccc3S)c2)c1
InChIInChI=1S/C17H14N2S/c18-14-8-9-19-16(11-14)13-5-3-4-12(10-13)15-6-1-2-7-17(15)20/h1-11,20H,(H2,18,19)
InChIKeyCCEGMUXTELZKOF-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)phenyl]pyridin-4-amine
CID 130234930
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
CID 154703049
2-pyridin-2-ylpyridin-4-amine
CID 1236680
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
2-(3-iodophenyl)benzenethiol
CID 141498433
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]pyridin-4-amine
CID 118183672
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
2,6-bis(4-amino-2-pyridinyl)pyridin-4-amine
CID 69016245
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol?
The IUPAC name of 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol (CID 132580694) is 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol.
What is the SMILES notation for 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol?
The canonical SMILES for 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol is Nc1ccnc(-c2cccc(-c3ccccc3S)c2)c1.
What is the InChIKey of 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol?
The InChIKey is CCEGMUXTELZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c18-14-8-9-19-16(11-14)13-5-3-4-12(10-13)15-6-1-2-7-17(15)20/h1-11,20H,(H2,18,19).
What are the key properties of 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol?
2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol has a molecular weight of 278.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-amino-2-pyridinyl)phenyl]benzenethiol is sourced from PubChem (CID 132580694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).