3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane

C15H14Cl2N2S — CID 11359266

IUPAC3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane
SMILESClc1ccc(N2CSCN(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C15H14Cl2N2S/c16-12-1-5-14(6-2-12)18-9-19(11-20-10-18)15-7-3-13(17)4-8-15/h1-8H,9-11H2
InChIKeyFLQLALSXULOYCO-UHFFFAOYSA-N
MW325.26 g/mol
LogP4.93
Rot. Bonds2

About 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane

3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane (PubChem CID 11359266) has the molecular formula C15H14Cl2N2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane
PubChem CID11359266
Molecular FormulaC15H14Cl2N2S
Molecular Weight325.26 g/mol
Exact Mass324.03
IUPAC Name3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane
SMILESClc1ccc(N2CSCN(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C15H14Cl2N2S/c16-12-1-5-14(6-2-12)18-9-19(11-20-10-18)15-7-3-13(17)4-8-15/h1-8H,9-11H2
InChIKeyFLQLALSXULOYCO-UHFFFAOYSA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane (CID 11359266) is 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane is Clc1ccc(N2CSCN(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane?
The InChIKey is FLQLALSXULOYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2S/c16-12-1-5-14(6-2-12)18-9-19(11-20-10-18)15-7-3-13(17)4-8-15/h1-8H,9-11H2.
What are the key properties of 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane?
3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane has a molecular weight of 325.26 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1,3,5-thiadiazinane is sourced from PubChem (CID 11359266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).