2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene

C8H10N2S2 — CID 96620806

IUPAC2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene
SMILESc1sc2c3c1NCCN3CCS2
InChIInChI=1S/C8H10N2S2/c1-2-10-3-4-11-8-7(10)6(9-1)5-12-8/h5,9H,1-4H2
InChIKeyWIGJVCQUIPOWEB-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.09
Rot. Bonds

About 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene

2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene (PubChem CID 96620806) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene.

Molecular Properties

Compound Name2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene
PubChem CID96620806
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene
SMILESc1sc2c3c1NCCN3CCS2
InChIInChI=1S/C8H10N2S2/c1-2-10-3-4-11-8-7(10)6(9-1)5-12-8/h5,9H,1-4H2
InChIKeyWIGJVCQUIPOWEB-UHFFFAOYSA-N
XLogP2.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 84739665
2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
CID 12578179
(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674655
(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674668
4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine
CID 151827450
4-(6-methyl-2-methylsulfonylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 167774332
2-oxo-2-(4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-yl)acetic acid
CID 140971697
7-chloro-4-methyl-5-piperazin-1-yl-2,3-dihydro-1H-quinoxaline
CID 142827705
5-piperazin-1-yl-1,3-thiazole
CID 96739347
1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
CID 74891876
4-thia-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2-carbonyl cyanide
CID 140971701
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298

Frequently Asked Questions

What is the IUPAC name of 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene?
The IUPAC name of 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene (CID 96620806) is 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene.
What is the SMILES notation for 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene?
The canonical SMILES for 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene is c1sc2c3c1NCCN3CCS2.
What is the InChIKey of 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene?
The InChIKey is WIGJVCQUIPOWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-2-10-3-4-11-8-7(10)6(9-1)5-12-8/h5,9H,1-4H2.
What are the key properties of 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene?
2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene has a molecular weight of 198.32 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dithia-5,8-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-diene is sourced from PubChem (CID 96620806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).