2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine

C18H15N3OS2 — CID 534327

IUPAC2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C18H15N3OS2/c1-2-13-22-16-19-17(23-14-9-5-3-6-10-14)21-18(20-16)24-15-11-7-4-8-12-15/h2-12H,1,13H2
InChIKeyJAXJBETVEGKZAF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.74
Rot. Bonds7

About 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine

2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine (PubChem CID 534327) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine
PubChem CID534327
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine
SMILESC=CCOc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C18H15N3OS2/c1-2-13-22-16-19-17(23-14-9-5-3-6-10-14)21-18(20-16)24-15-11-7-4-8-12-15/h2-12H,1,13H2
InChIKeyJAXJBETVEGKZAF-UHFFFAOYSA-N
XLogP4.74
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine (CID 534327) is 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine is C=CCOc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1.
What is the InChIKey of 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine?
The InChIKey is JAXJBETVEGKZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-2-13-22-16-19-17(23-14-9-5-3-6-10-14)21-18(20-16)24-15-11-7-4-8-12-15/h2-12H,1,13H2.
What are the key properties of 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine?
2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine has a molecular weight of 353.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylsulfanyl)-6-prop-2-enoxy-1,3,5-triazine is sourced from PubChem (CID 534327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).