2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine

C19H13N3S2 — CID 86005531

IUPAC2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
SMILESC=Cc1ccc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C19H13N3S2/c1-2-13-7-9-14(10-8-13)17-20-18(15-5-3-11-23-15)22-19(21-17)16-6-4-12-24-16/h2-12H,1H2
InChIKeyYNDHFARPTRCPND-UHFFFAOYSA-N
MW347.47 g/mol
LogP5.64
Rot. Bonds4

About 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine

2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine (PubChem CID 86005531) has the molecular formula C19H13N3S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
PubChem CID86005531
Molecular FormulaC19H13N3S2
Molecular Weight347.47 g/mol
Exact Mass347.06
IUPAC Name2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
SMILESC=Cc1ccc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C19H13N3S2/c1-2-13-7-9-14(10-8-13)17-20-18(15-5-3-11-23-15)22-19(21-17)16-6-4-12-24-16/h2-12H,1H2
InChIKeyYNDHFARPTRCPND-UHFFFAOYSA-N
XLogP5.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine (CID 86005531) is 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine is C=Cc1ccc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
The InChIKey is YNDHFARPTRCPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S2/c1-2-13-7-9-14(10-8-13)17-20-18(15-5-3-11-23-15)22-19(21-17)16-6-4-12-24-16/h2-12H,1H2.
What are the key properties of 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine has a molecular weight of 347.47 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine is sourced from PubChem (CID 86005531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).