8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

C11H9NS2 — CID 10846537

IUPAC8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
SMILESCCc1c2sccc2nc2ccsc12
InChIInChI=1S/C11H9NS2/c1-2-7-10-8(3-5-13-10)12-9-4-6-14-11(7)9/h3-6H,2H2,1H3
InChIKeyLADQMRZYJQPTRO-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.07
Rot. Bonds1

About 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene (PubChem CID 10846537) has the molecular formula C11H9NS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene.

Molecular Properties

Compound Name8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
PubChem CID10846537
Molecular FormulaC11H9NS2
Molecular Weight219.33 g/mol
Exact Mass219.02
IUPAC Name8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
SMILESCCc1c2sccc2nc2ccsc12
InChIInChI=1S/C11H9NS2/c1-2-7-10-8(3-5-13-10)12-9-4-6-14-11(7)9/h3-6H,2H2,1H3
InChIKeyLADQMRZYJQPTRO-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene with MolForge

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Related Compounds

ethane;7-ethylthieno[3,2-b]pyridine
CID 143768576
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
5-propylthieno[3,2-b]pyridin-7-amine
CID 66355405
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196
2-chloro-N-ethyl-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 130535565
N-ethyl-6-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8-tetraen-8-amine
CID 66354554
2,4-difluorothieno[3,2-d]pyrimidine
CID 141193724
7-ethyl-1-benzothiophene-6-carbonitrile
CID 130064616
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318
12-ethyl-8-methyl-6-thia-2,12-diazatricyclo[7.5.0.03,7]tetradeca-1,3(7),4,8-tetraene
CID 67270836
5-methylthieno[3,2-b]pyridin-7-amine
CID 66356248
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The IUPAC name of 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene (CID 10846537) is 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene.
What is the SMILES notation for 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The canonical SMILES for 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene is CCc1c2sccc2nc2ccsc12.
What is the InChIKey of 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The InChIKey is LADQMRZYJQPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS2/c1-2-7-10-8(3-5-13-10)12-9-4-6-14-11(7)9/h3-6H,2H2,1H3.
What are the key properties of 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene has a molecular weight of 219.33 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,10-dithia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene is sourced from PubChem (CID 10846537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).