6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene

C12H12S2 — CID 12551997

IUPAC6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
SMILESc1scc2c1CCc1cscc1CC2
InChIInChI=1S/C12H12S2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h5-8H,1-4H2
InChIKeyRLRMYNUJCMNGBF-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.69
Rot. Bonds

About 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene

6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene (PubChem CID 12551997) has the molecular formula C12H12S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene.

Molecular Properties

Compound Name6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
PubChem CID12551997
Molecular FormulaC12H12S2
Molecular Weight220.36 g/mol
Exact Mass220.04
IUPAC Name6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
SMILESc1scc2c1CCc1cscc1CC2
InChIInChI=1S/C12H12S2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h5-8H,1-4H2
InChIKeyRLRMYNUJCMNGBF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
The IUPAC name of 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene (CID 12551997) is 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene.
What is the SMILES notation for 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
The canonical SMILES for 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene is c1scc2c1CCc1cscc1CC2.
What is the InChIKey of 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
The InChIKey is RLRMYNUJCMNGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S2/c1-2-10-6-14-8-12(10)4-3-11-7-13-5-9(1)11/h5-8H,1-4H2.
What are the key properties of 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene has a molecular weight of 220.36 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dithiatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene is sourced from PubChem (CID 12551997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).