3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene

C11H12N2S2 — CID 10220333

IUPAC3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene
SMILESCc1sc(C)c2c1SCc1cnn(C)c1-2
InChIInChI=1S/C11H12N2S2/c1-6-9-10-8(4-12-13(10)3)5-14-11(9)7(2)15-6/h4H,5H2,1-3H3
InChIKeyLQNRJKXALVHLGB-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.37
Rot. Bonds

About 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene

3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene (PubChem CID 10220333) has the molecular formula C11H12N2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene.

Molecular Properties

Compound Name3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene
PubChem CID10220333
Molecular FormulaC11H12N2S2
Molecular Weight236.36 g/mol
Exact Mass236.04
IUPAC Name3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene
SMILESCc1sc(C)c2c1SCc1cnn(C)c1-2
InChIInChI=1S/C11H12N2S2/c1-6-9-10-8(4-12-13(10)3)5-14-11(9)7(2)15-6/h4H,5H2,1-3H3
InChIKeyLQNRJKXALVHLGB-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene?
The IUPAC name of 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene (CID 10220333) is 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene.
What is the SMILES notation for 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene?
The canonical SMILES for 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene is Cc1sc(C)c2c1SCc1cnn(C)c1-2.
What is the InChIKey of 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene?
The InChIKey is LQNRJKXALVHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-6-9-10-8(4-12-13(10)3)5-14-11(9)7(2)15-6/h4H,5H2,1-3H3.
What are the key properties of 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene?
3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene has a molecular weight of 236.36 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,12-trimethyl-8,11-dithia-3,4-diazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,9-tetraene is sourced from PubChem (CID 10220333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).