2-[methylsulfanyl(phenyl)phosphoryl]pyridine

C12H12NOPS — CID 166659297

IUPAC2-[methylsulfanyl(phenyl)phosphoryl]pyridine
SMILESCS[P@](=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C12H12NOPS/c1-16-15(14,11-7-3-2-4-8-11)12-9-5-6-10-13-12/h2-10H,1H3/t15-/m1/s1
InChIKeyIBCPZERRBYLCSR-OAHLLOKOSA-N
MW249.28 g/mol
LogP2.67
Rot. Bonds3

About 2-[methylsulfanyl(phenyl)phosphoryl]pyridine

2-[methylsulfanyl(phenyl)phosphoryl]pyridine (PubChem CID 166659297) has the molecular formula C12H12NOPS and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[methylsulfanyl(phenyl)phosphoryl]pyridine.

Molecular Properties

Compound Name2-[methylsulfanyl(phenyl)phosphoryl]pyridine
PubChem CID166659297
Molecular FormulaC12H12NOPS
Molecular Weight249.28 g/mol
Exact Mass249.04
IUPAC Name2-[methylsulfanyl(phenyl)phosphoryl]pyridine
SMILESCS[P@](=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C12H12NOPS/c1-16-15(14,11-7-3-2-4-8-11)12-9-5-6-10-13-12/h2-10H,1H3/t15-/m1/s1
InChIKeyIBCPZERRBYLCSR-OAHLLOKOSA-N
XLogP2.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphorylpyridine
CID 3496437
dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
CID 139152529
2-(1-diphenylphosphorylethyl)pyridine
CID 15841923
(4-methyl-2-pyridinyl)-phenylphosphinic acid
CID 132597364
1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
CID 20634527
2-[1-[hydroxy(pyridin-2-yl)phosphoryl]ethyl]pentanedioic acid
CID 19357725
1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
CID 20634519
[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium
CID 59068635
methyl 2-diphenylphosphorylpyridine-4-carboxylate
CID 172559209
diphenylphosphorylazanide
CID 18705552
2,6-bis(diphenylphosphoryl)pyridine;hydrate
CID 139170088
9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]-3-[9-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]carbazole
CID 164937824

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfanyl(phenyl)phosphoryl]pyridine?
The IUPAC name of 2-[methylsulfanyl(phenyl)phosphoryl]pyridine (CID 166659297) is 2-[methylsulfanyl(phenyl)phosphoryl]pyridine.
What is the SMILES notation for 2-[methylsulfanyl(phenyl)phosphoryl]pyridine?
The canonical SMILES for 2-[methylsulfanyl(phenyl)phosphoryl]pyridine is CS[P@](=O)(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[methylsulfanyl(phenyl)phosphoryl]pyridine?
The InChIKey is IBCPZERRBYLCSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C12H12NOPS/c1-16-15(14,11-7-3-2-4-8-11)12-9-5-6-10-13-12/h2-10H,1H3/t15-/m1/s1.
What are the key properties of 2-[methylsulfanyl(phenyl)phosphoryl]pyridine?
2-[methylsulfanyl(phenyl)phosphoryl]pyridine has a molecular weight of 249.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfanyl(phenyl)phosphoryl]pyridine is sourced from PubChem (CID 166659297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).