4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol

C12H12N2OS — CID 62468210

IUPAC4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol
SMILESNc1cc(CSc2ccc(O)cc2)ccn1
InChIInChI=1S/C12H12N2OS/c13-12-7-9(5-6-14-12)8-16-11-3-1-10(15)2-4-11/h1-7,15H,8H2,(H2,13,14)
InChIKeyYJVQRPNLICTGTF-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.66
Rot. Bonds3

About 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol

4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol (PubChem CID 62468210) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol
PubChem CID62468210
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol
SMILESNc1cc(CSc2ccc(O)cc2)ccn1
InChIInChI=1S/C12H12N2OS/c13-12-7-9(5-6-14-12)8-16-11-3-1-10(15)2-4-11/h1-7,15H,8H2,(H2,13,14)
InChIKeyYJVQRPNLICTGTF-UHFFFAOYSA-N
XLogP2.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol (CID 62468210) is 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol is Nc1cc(CSc2ccc(O)cc2)ccn1.
What is the InChIKey of 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol?
The InChIKey is YJVQRPNLICTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-12-7-9(5-6-14-12)8-16-11-3-1-10(15)2-4-11/h1-7,15H,8H2,(H2,13,14).
What are the key properties of 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol?
4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol has a molecular weight of 232.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-pyridinyl)methylsulfanyl]phenol is sourced from PubChem (CID 62468210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).