2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C10H6N2S2 — CID 11506792

IUPAC2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cc2c(cn1)Sc1cnccc1S2
InChIInChI=1S/C10H6N2S2/c1-3-11-5-9-7(1)13-8-2-4-12-6-10(8)14-9/h1-6H
InChIKeyNZMPGBXMYOWBAG-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.09
Rot. Bonds

About 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 11506792) has the molecular formula C10H6N2S2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID11506792
Molecular FormulaC10H6N2S2
Molecular Weight218.31 g/mol
Exact Mass218.00
IUPAC Name2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cc2c(cn1)Sc1cnccc1S2
InChIInChI=1S/C10H6N2S2/c1-3-11-5-9-7(1)13-8-2-4-12-6-10(8)14-9/h1-6H
InChIKeyNZMPGBXMYOWBAG-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thia-6,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 121007987
9-ethyl-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 16742382
5-methylpyrido[3,4-b][1,4]benzothiazine
CID 23521305
8-methyl-7,8λ4-dithia-3,9-diazabicyclo[4.3.0]nona-1(6),2,4,8-tetraene
CID 57105767
9-(3-nitro-4-pyridinyl)-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 5246093
3,8-phenanthroline
CID 13064691
9-(2-pyrrolidin-1-ylethyl)-2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 46702209
N,N-diethyl-2-(2-thia-5,9,12-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)ethanamine
CID 16742386
pyrido[4,3-c][1,2,6]oxathiazine
CID 59512466
3,3-dimethyl-2H-thieno[3,2-c]pyridine
CID 21300242
oxathiino[3,4-c]pyridine
CID 59512235
pyrido[3,4-c][1,2,6]oxathiazine
CID 59512441

Frequently Asked Questions

What is the IUPAC name of 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 11506792) is 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is c1cc2c(cn1)Sc1cnccc1S2.
What is the InChIKey of 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is NZMPGBXMYOWBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S2/c1-3-11-5-9-7(1)13-8-2-4-12-6-10(8)14-9/h1-6H.
What are the key properties of 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 218.31 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dithia-5,13-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 11506792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).