4-phenylsulfanyl-1H-pyridin-2-one

C11H9NOS — CID 19365875

IUPAC4-phenylsulfanyl-1H-pyridin-2-one
SMILESO=c1cc(Sc2ccccc2)cc[nH]1
InChIInChI=1S/C11H9NOS/c13-11-8-10(6-7-12-11)14-9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKeyRBKVFZDQZRLYRA-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.53
Rot. Bonds2

About 4-phenylsulfanyl-1H-pyridin-2-one

4-phenylsulfanyl-1H-pyridin-2-one (PubChem CID 19365875) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-phenylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-phenylsulfanyl-1H-pyridin-2-one
PubChem CID19365875
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name4-phenylsulfanyl-1H-pyridin-2-one
SMILESO=c1cc(Sc2ccccc2)cc[nH]1
InChIInChI=1S/C11H9NOS/c13-11-8-10(6-7-12-11)14-9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKeyRBKVFZDQZRLYRA-UHFFFAOYSA-N
XLogP2.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 4-phenylsulfanyl-1H-pyridin-2-one (CID 19365875) is 4-phenylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 4-phenylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 4-phenylsulfanyl-1H-pyridin-2-one is O=c1cc(Sc2ccccc2)cc[nH]1.
What is the InChIKey of 4-phenylsulfanyl-1H-pyridin-2-one?
The InChIKey is RBKVFZDQZRLYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-11-8-10(6-7-12-11)14-9-4-2-1-3-5-9/h1-8H,(H,12,13).
What are the key properties of 4-phenylsulfanyl-1H-pyridin-2-one?
4-phenylsulfanyl-1H-pyridin-2-one has a molecular weight of 203.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 19365875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).