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

C4H3Br2N3S — CID 23462638

IUPAC2,4-dibromo-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(Br)nc(Br)n1
InChIInChI=1S/C4H3Br2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKeyRINPYRGJTFWLRS-UHFFFAOYSA-N
MW284.96 g/mol
LogP2.12
Rot. Bonds1

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

2,4-dibromo-6-methylsulfanyl-1,3,5-triazine (PubChem CID 23462638) has the molecular formula C4H3Br2N3S and a molecular weight of 284.96 g/mol. Its IUPAC name is 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dibromo-6-methylsulfanyl-1,3,5-triazine
PubChem CID23462638
Molecular FormulaC4H3Br2N3S
Molecular Weight284.96 g/mol
Exact Mass282.84
IUPAC Name2,4-dibromo-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(Br)nc(Br)n1
InChIInChI=1S/C4H3Br2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKeyRINPYRGJTFWLRS-UHFFFAOYSA-N
XLogP2.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.96
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 23462639
CID 23462639
CID 140127308
CID 140127308

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine (CID 23462638) is 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine is CSc1nc(Br)nc(Br)n1.
What is the InChIKey of 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is RINPYRGJTFWLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2N3S/c1-10-4-8-2(5)7-3(6)9-4/h1H3.
What are the key properties of 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine?
2,4-dibromo-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 284.96 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 23462638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).