2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine

C5H5Br2N3S — CID 23462639

IUPAC2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine
SMILESCCSc1nc(Br)nc(Br)n1
InChIInChI=1S/C5H5Br2N3S/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3
InChIKeyGUXUMCNZMMLAJN-UHFFFAOYSA-N
MW298.99 g/mol
LogP2.51
Rot. Bonds2

About 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine

2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine (PubChem CID 23462639) has the molecular formula C5H5Br2N3S and a molecular weight of 298.99 g/mol. Its IUPAC name is 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine
PubChem CID23462639
Molecular FormulaC5H5Br2N3S
Molecular Weight298.99 g/mol
Exact Mass296.86
IUPAC Name2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine
SMILESCCSc1nc(Br)nc(Br)n1
InChIInChI=1S/C5H5Br2N3S/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3
InChIKeyGUXUMCNZMMLAJN-UHFFFAOYSA-N
XLogP2.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.99
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylsulfanyl-4,6-difluoro-1,3,5-triazine
CID 53657665
2,4-Dichloro-6-(ethylsulfanyl)-1,3,5-triazine
CID 26230
2,4,6-Tris(ethylsulfanyl)-1,3,5-triazine
CID 35565
2,4-Dibromo-6-methylsulfanyl-1,3,5-triazine
CID 23462638
2,4-Bis(ethylsulfanyl)-6-methylsulfanyl-1,3,5-triazine
CID 129281792

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine (CID 23462639) is 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine is CCSc1nc(Br)nc(Br)n1.
What is the InChIKey of 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine?
The InChIKey is GUXUMCNZMMLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2N3S/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3.
What are the key properties of 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine?
2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine has a molecular weight of 298.99 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-ethylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 23462639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).