4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C10H8S3 — CID 614047

IUPAC4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCc1cc2sc3cc(C)sc3c2s1
InChIInChI=1S/C10H8S3/c1-5-3-7-9(11-5)10-8(13-7)4-6(2)12-10/h3-4H,1-2H3
InChIKeyOZBIHQANVLVZBE-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.79
Rot. Bonds

About 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 614047) has the molecular formula C10H8S3 and a molecular weight of 224.37 g/mol. Its IUPAC name is 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID614047
Molecular FormulaC10H8S3
Molecular Weight224.37 g/mol
Exact Mass223.98
IUPAC Name4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESCc1cc2sc3cc(C)sc3c2s1
InChIInChI=1S/C10H8S3/c1-5-3-7-9(11-5)10-8(13-7)4-6(2)12-10/h3-4H,1-2H3
InChIKeyOZBIHQANVLVZBE-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 614047) is 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is Cc1cc2sc3cc(C)sc3c2s1.
What is the InChIKey of 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is OZBIHQANVLVZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S3/c1-5-3-7-9(11-5)10-8(13-7)4-6(2)12-10/h3-4H,1-2H3.
What are the key properties of 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 224.37 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 614047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).