2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine

C7H9Cl2N3S — CID 62868905

IUPAC2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine
SMILESCCC(C)Sc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3S/c1-3-4(2)13-7-11-5(8)10-6(9)12-7/h4H,3H2,1-2H3
InChIKeyPOLVIWOIPINRQD-UHFFFAOYSA-N
MW238.14 g/mol
LogP3.07
Rot. Bonds3

About 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine

2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine (PubChem CID 62868905) has the molecular formula C7H9Cl2N3S and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine
PubChem CID62868905
Molecular FormulaC7H9Cl2N3S
Molecular Weight238.14 g/mol
Exact Mass236.99
IUPAC Name2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine
SMILESCCC(C)Sc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3S/c1-3-4(2)13-7-11-5(8)10-6(9)12-7/h4H,3H2,1-2H3
InChIKeyPOLVIWOIPINRQD-UHFFFAOYSA-N
XLogP3.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine (CID 62868905) is 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine is CCC(C)Sc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine?
The InChIKey is POLVIWOIPINRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3S/c1-3-4(2)13-7-11-5(8)10-6(9)12-7/h4H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine?
2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine has a molecular weight of 238.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 62868905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).