8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

C9H8N2S2 — CID 154098735

IUPAC8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
SMILESc1ncc2c3c(sc2n1)CSCC3
InChIInChI=1S/C9H8N2S2/c1-2-12-4-8-6(1)7-3-10-5-11-9(7)13-8/h3,5H,1-2,4H2
InChIKeyDNENSRNCNQLEFH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.48
Rot. Bonds

About 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene

8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene (PubChem CID 154098735) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Name8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
PubChem CID154098735
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
SMILESc1ncc2c3c(sc2n1)CSCC3
InChIInChI=1S/C9H8N2S2/c1-2-12-4-8-6(1)7-3-10-5-11-9(7)13-8/h3,5H,1-2,4H2
InChIKeyDNENSRNCNQLEFH-UHFFFAOYSA-N
XLogP2.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene with MolForge

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Related Compounds

2-chloro-1-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)ethanone
CID 171327857
1-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl)but-2-en-1-one
CID 171323291
8-thia-3,4,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 164813329
[(3S)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]methanol
CID 141392046
[1]benzothiolo[2,3-d]pyrimidine
CID 23330410
5,7-dithia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
CID 173272937
4-(2-chloroethyl)-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 69071001
5,8,12-trithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one
CID 15216033
13-thia-4,6,8-triazatricyclo[8.4.0.02,7]tetradeca-1,3,5,7,9-pentaen-3-amine
CID 96609950
5-chloro-3,4-dihydro-1H-thiopyrano[4,3-c]pyridine
CID 105441953
8-thia-4,6,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 118104805
5-propyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 47290220

Frequently Asked Questions

What is the IUPAC name of 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The IUPAC name of 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene (CID 154098735) is 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
What is the SMILES notation for 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The canonical SMILES for 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene is c1ncc2c3c(sc2n1)CSCC3.
What is the InChIKey of 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
The InChIKey is DNENSRNCNQLEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-2-12-4-8-6(1)7-3-10-5-11-9(7)13-8/h3,5H,1-2,4H2.
What are the key properties of 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene?
8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene has a molecular weight of 208.31 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene is sourced from PubChem (CID 154098735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).