5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene

C8H4N2S2 — CID 173272937

IUPAC5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
SMILESc1ncc2c(n1)sc1sccc12
InChIInChI=1S/C8H4N2S2/c1-2-11-8-5(1)6-3-9-4-10-7(6)12-8/h1-4H
InChIKeyKQKFNEOHQJEUHZ-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.91
Rot. Bonds

About 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene

5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene (PubChem CID 173272937) has the molecular formula C8H4N2S2 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene.

Molecular Properties

Compound Name5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
PubChem CID173272937
Molecular FormulaC8H4N2S2
Molecular Weight192.27 g/mol
Exact Mass191.98
IUPAC Name5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
SMILESc1ncc2c(n1)sc1sccc12
InChIInChI=1S/C8H4N2S2/c1-2-11-8-5(1)6-3-9-4-10-7(6)12-8/h1-4H
InChIKeyKQKFNEOHQJEUHZ-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene?
The IUPAC name of 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene (CID 173272937) is 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene.
What is the SMILES notation for 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene?
The canonical SMILES for 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene is c1ncc2c(n1)sc1sccc12.
What is the InChIKey of 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene?
The InChIKey is KQKFNEOHQJEUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2S2/c1-2-11-8-5(1)6-3-9-4-10-7(6)12-8/h1-4H.
What are the key properties of 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene?
5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene has a molecular weight of 192.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene is sourced from PubChem (CID 173272937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).