4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

C8H4N2S2 — CID 121433174

IUPAC4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESc1cc2nc3sccc3nc2s1
InChIInChI=1S/C8H4N2S2/c1-3-11-7-5(1)9-8-6(10-7)2-4-12-8/h1-4H
InChIKeyQDXGEWMBUYUJKO-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.91
Rot. Bonds

About 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene

4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (PubChem CID 121433174) has the molecular formula C8H4N2S2 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.

Molecular Properties

Compound Name4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
PubChem CID121433174
Molecular FormulaC8H4N2S2
Molecular Weight192.27 g/mol
Exact Mass191.98
IUPAC Name4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene
SMILESc1cc2nc3sccc3nc2s1
InChIInChI=1S/C8H4N2S2/c1-3-11-7-5(1)9-8-6(10-7)2-4-12-8/h1-4H
InChIKeyQDXGEWMBUYUJKO-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 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The IUPAC name of 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene (CID 121433174) is 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene.
What is the SMILES notation for 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The canonical SMILES for 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is c1cc2nc3sccc3nc2s1.
What is the InChIKey of 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
The InChIKey is QDXGEWMBUYUJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2S2/c1-3-11-7-5(1)9-8-6(10-7)2-4-12-8/h1-4H.
What are the key properties of 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene?
4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-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 4,10-dithia-2,8-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene is sourced from PubChem (CID 121433174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).