(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane

C18H16NPS — CID 15500898

IUPAC(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane
SMILESCSc1cccc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H16NPS/c1-21-18-14-8-13-17(19-18)20(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyULGCUFMXBXJVFN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.56
Rot. Bonds4

About (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane

(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane (PubChem CID 15500898) has the molecular formula C18H16NPS and a molecular weight of 309.37 g/mol. Its IUPAC name is (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane.

Molecular Properties

Compound Name(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane
PubChem CID15500898
Molecular FormulaC18H16NPS
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane
SMILESCSc1cccc(P(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H16NPS/c1-21-18-14-8-13-17(19-18)20(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyULGCUFMXBXJVFN-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methylsulfanylpyridin-2-amine
CID 23423787
diphenyl(pyridin-2-yl)phosphane
CID 621893
2-chloro-6-methylsulfanylpyridine
CID 1477089
2-bromo-6-methylsulfanylpyridine
CID 12560807
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
ethane;triphenylphosphane
CID 90942156
trimethyl-(6-methylsulfanyl-2-pyridinyl)silane
CID 10679443
triphenylphosphane
CID 139056248
(4,6-dimethyl-2-pyridinyl)-diphenylphosphane
CID 19802092
(6-deuterio-2-pyridinyl)-diphenylphosphane
CID 11021746
chlororuthenium;tris(diphenyl(pyridin-2-yl)phosphane)
CID 11147372
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane?
The IUPAC name of (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane (CID 15500898) is (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane.
What is the SMILES notation for (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane?
The canonical SMILES for (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane is CSc1cccc(P(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane?
The InChIKey is ULGCUFMXBXJVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NPS/c1-21-18-14-8-13-17(19-18)20(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane?
(6-methylsulfanyl-2-pyridinyl)-diphenylphosphane has a molecular weight of 309.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfanyl-2-pyridinyl)-diphenylphosphane is sourced from PubChem (CID 15500898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).