6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene

C10H9NS — CID 138722119

IUPAC6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
SMILESCCC1=c2sccc2=CN=C=C1
InChIInChI=1S/C10H9NS/c1-2-8-3-5-11-7-9-4-6-12-10(8)9/h3-4,6-7H,2H2,1H3
InChIKeyCXDJVMWQEVBEGJ-UHFFFAOYSA-N
MW175.26 g/mol
LogP1.29
Rot. Bonds1

About 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene

6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene (PubChem CID 138722119) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene.

Molecular Properties

Compound Name6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
PubChem CID138722119
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
SMILESCCC1=c2sccc2=CN=C=C1
InChIInChI=1S/C10H9NS/c1-2-8-3-5-11-7-9-4-6-12-10(8)9/h3-4,6-7H,2H2,1H3
InChIKeyCXDJVMWQEVBEGJ-UHFFFAOYSA-N
XLogP1.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
The IUPAC name of 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene (CID 138722119) is 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene.
What is the SMILES notation for 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
The canonical SMILES for 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene is CCC1=c2sccc2=CN=C=C1.
What is the InChIKey of 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
The InChIKey is CXDJVMWQEVBEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-8-3-5-11-7-9-4-6-12-10(8)9/h3-4,6-7H,2H2,1H3.
What are the key properties of 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene?
6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene has a molecular weight of 175.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-thia-3-azabicyclo[5.3.0]deca-1,3,4,6,9-pentaene is sourced from PubChem (CID 138722119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).