4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

C8H4N2S2 — CID 134966546

IUPAC4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESc1cc2cc3ncsc3nc2s1
InChIInChI=1S/C8H4N2S2/c1-2-11-7-5(1)3-6-8(10-7)12-4-9-6/h1-4H
InChIKeyGNJNNEQLSRDBIQ-UHFFFAOYSA-N
MW192.27 g/mol
LogP2.91
Rot. Bonds

About 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (PubChem CID 134966546) has the molecular formula C8H4N2S2 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.

Molecular Properties

Compound Name4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
PubChem CID134966546
Molecular FormulaC8H4N2S2
Molecular Weight192.27 g/mol
Exact Mass191.98
IUPAC Name4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESc1cc2cc3ncsc3nc2s1
InChIInChI=1S/C8H4N2S2/c1-2-11-7-5(1)3-6-8(10-7)12-4-9-6/h1-4H
InChIKeyGNJNNEQLSRDBIQ-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 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The IUPAC name of 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (CID 134966546) is 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.
What is the SMILES notation for 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The canonical SMILES for 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is c1cc2cc3ncsc3nc2s1.
What is the InChIKey of 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The InChIKey is GNJNNEQLSRDBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2S2/c1-2-11-7-5(1)3-6-8(10-7)12-4-9-6/h1-4H.
What are the key properties of 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-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 4,12-dithia-2,6-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is sourced from PubChem (CID 134966546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).