4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

C11H8S2 — CID 118449692

IUPAC4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESC=C1c2sccc2-c2cc(C)sc21
InChIInChI=1S/C11H8S2/c1-6-5-9-8-3-4-12-10(8)7(2)11(9)13-6/h3-5H,2H2,1H3
InChIKeyUATLIZGYVAYVCS-UHFFFAOYSA-N
MW204.32 g/mol
LogP4.16
Rot. Bonds

About 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (PubChem CID 118449692) has the molecular formula C11H8S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.

Molecular Properties

Compound Name4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
PubChem CID118449692
Molecular FormulaC11H8S2
Molecular Weight204.32 g/mol
Exact Mass204.01
IUPAC Name4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESC=C1c2sccc2-c2cc(C)sc21
InChIInChI=1S/C11H8S2/c1-6-5-9-8-3-4-12-10(8)7(2)11(9)13-6/h3-5H,2H2,1H3
InChIKeyUATLIZGYVAYVCS-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The IUPAC name of 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (CID 118449692) is 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.
What is the SMILES notation for 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The canonical SMILES for 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is C=C1c2sccc2-c2cc(C)sc21.
What is the InChIKey of 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The InChIKey is UATLIZGYVAYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S2/c1-6-5-9-8-3-4-12-10(8)7(2)11(9)13-6/h3-5H,2H2,1H3.
What are the key properties of 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene has a molecular weight of 204.32 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is sourced from PubChem (CID 118449692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).