2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine

C8H11Cl2N3S — CID 107751337

IUPAC2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine
SMILESCC(C)CCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3S/c1-5(2)3-4-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3
InChIKeyPJEHKGHCYSAFPW-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.32
Rot. Bonds4

About 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine

2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine (PubChem CID 107751337) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine
PubChem CID107751337
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine
SMILESCC(C)CCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3S/c1-5(2)3-4-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3
InChIKeyPJEHKGHCYSAFPW-UHFFFAOYSA-N
XLogP3.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

s-Triazine, 2-butylthio-4,6-dichloro-
CID 35637
2,4-Dichloro-6-octylsulfanyl-1,3,5-triazine
CID 14533894
2,4-Dichloro-6-(ethylsulfanyl)-1,3,5-triazine
CID 26230
2,4-Dichloro-6-(propylthio)-1,3,5-triazine
CID 35635
2,4-Dichloro-6-propan-2-ylsulfanyl-1,3,5-triazine
CID 35636
2,4-Dichloro-6-dodecylsulfanyl-1,3,5-triazine
CID 3705221
2,4,6-Tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine
CID 58689489
2,4-Bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
CID 58689493
2,4,6-Tris(2-methylpropylsulfanyl)-1,3,5-triazine
CID 58689499
2-Butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine
CID 62868905
2,4-Dichloro-6-pentylsulfanyl-1,3,5-triazine
CID 86136497
2,4-Dichloro-6-decylsulfanyl-1,3,5-triazine
CID 118916392

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine (CID 107751337) is 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine is CC(C)CCSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine?
The InChIKey is PJEHKGHCYSAFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3S/c1-5(2)3-4-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine?
2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine has a molecular weight of 252.17 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-methylbutylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 107751337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).