6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione

C7H8N2S — CID 142310415

IUPAC6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione
SMILESS=c1[nH]cc2n1CC1CC21
InChIInChI=1S/C7H8N2S/c10-7-8-2-6-5-1-4(5)3-9(6)7/h2,4-5H,1,3H2,(H,8,10)
InChIKeyLIYNPMZZGMVBHT-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.66
Rot. Bonds

About 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione

6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione (PubChem CID 142310415) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione.

Molecular Properties

Compound Name6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione
PubChem CID142310415
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione
SMILESS=c1[nH]cc2n1CC1CC21
InChIInChI=1S/C7H8N2S/c10-7-8-2-6-5-1-4(5)3-9(6)7/h2,4-5H,1,3H2,(H,8,10)
InChIKeyLIYNPMZZGMVBHT-UHFFFAOYSA-N
XLogP1.66
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-methyl-6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione
CID 134377381
(2R,4S)-6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione
CID 156255197

Frequently Asked Questions

What is the IUPAC name of 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione?
The IUPAC name of 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione (CID 142310415) is 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione.
What is the SMILES notation for 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione?
The canonical SMILES for 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione is S=c1[nH]cc2n1CC1CC21.
What is the InChIKey of 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione?
The InChIKey is LIYNPMZZGMVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c10-7-8-2-6-5-1-4(5)3-9(6)7/h2,4-5H,1,3H2,(H,8,10).
What are the key properties of 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione?
6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione has a molecular weight of 152.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diazatricyclo[4.3.0.02,4]non-1(9)-ene-7-thione is sourced from PubChem (CID 142310415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).