[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone

C15H15NO2S2 — CID 162669425

IUPAC[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C15H15NO2S2/c1-18-12-6-4-10(5-7-12)15(17)11-8-13(19-2)16-14(9-11)20-3/h4-9H,1-3H3
InChIKeyGXUHPVBRPBJREV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.77
Rot. Bonds5

About [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone

[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone (PubChem CID 162669425) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone
PubChem CID162669425
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(SC)nc(SC)c2)cc1
InChIInChI=1S/C15H15NO2S2/c1-18-12-6-4-10(5-7-12)15(17)11-8-13(19-2)16-14(9-11)20-3/h4-9H,1-3H3
InChIKeyGXUHPVBRPBJREV-UHFFFAOYSA-N
XLogP3.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone (CID 162669425) is [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(SC)nc(SC)c2)cc1.
What is the InChIKey of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone?
The InChIKey is GXUHPVBRPBJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c1-18-12-6-4-10(5-7-12)15(17)11-8-13(19-2)16-14(9-11)20-3/h4-9H,1-3H3.
What are the key properties of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone?
[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone has a molecular weight of 305.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 162669425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).