3,4-diphenyl-1,6,3,4-dithiadiazepane

C15H16N2S2 — CID 71425824

IUPAC3,4-diphenyl-1,6,3,4-dithiadiazepane
SMILESc1ccc(N2CSCSCN2c2ccccc2)cc1
InChIInChI=1S/C15H16N2S2/c1-3-7-14(8-4-1)16-11-18-13-19-12-17(16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyWTXXVVMMPVYNFR-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.27
Rot. Bonds2

About 3,4-diphenyl-1,6,3,4-dithiadiazepane

3,4-diphenyl-1,6,3,4-dithiadiazepane (PubChem CID 71425824) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3,4-diphenyl-1,6,3,4-dithiadiazepane.

Molecular Properties

Compound Name3,4-diphenyl-1,6,3,4-dithiadiazepane
PubChem CID71425824
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name3,4-diphenyl-1,6,3,4-dithiadiazepane
SMILESc1ccc(N2CSCSCN2c2ccccc2)cc1
InChIInChI=1S/C15H16N2S2/c1-3-7-14(8-4-1)16-11-18-13-19-12-17(16)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyWTXXVVMMPVYNFR-UHFFFAOYSA-N
XLogP4.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,6,3,4-dithiadiazepane?
The IUPAC name of 3,4-diphenyl-1,6,3,4-dithiadiazepane (CID 71425824) is 3,4-diphenyl-1,6,3,4-dithiadiazepane.
What is the SMILES notation for 3,4-diphenyl-1,6,3,4-dithiadiazepane?
The canonical SMILES for 3,4-diphenyl-1,6,3,4-dithiadiazepane is c1ccc(N2CSCSCN2c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-1,6,3,4-dithiadiazepane?
The InChIKey is WTXXVVMMPVYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-3-7-14(8-4-1)16-11-18-13-19-12-17(16)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 3,4-diphenyl-1,6,3,4-dithiadiazepane?
3,4-diphenyl-1,6,3,4-dithiadiazepane has a molecular weight of 288.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,6,3,4-dithiadiazepane is sourced from PubChem (CID 71425824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).