2,3,5,6-tetramethylbenzene-1,4-dithiol

C10H14S2 — CID 10867305

IUPAC2,3,5,6-tetramethylbenzene-1,4-dithiol
SMILESCc1c(C)c(S)c(C)c(C)c1S
InChIInChI=1S/C10H14S2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3
InChIKeyOLBBOLUTXVRFHW-UHFFFAOYSA-N
MW198.36 g/mol
LogP3.50
Rot. Bonds

About 2,3,5,6-tetramethylbenzene-1,4-dithiol

2,3,5,6-tetramethylbenzene-1,4-dithiol (PubChem CID 10867305) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is 2,3,5,6-tetramethylbenzene-1,4-dithiol.

Molecular Properties

Compound Name2,3,5,6-tetramethylbenzene-1,4-dithiol
PubChem CID10867305
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name2,3,5,6-tetramethylbenzene-1,4-dithiol
SMILESCc1c(C)c(S)c(C)c(C)c1S
InChIInChI=1S/C10H14S2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3
InChIKeyOLBBOLUTXVRFHW-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetramethylbenzene-1,4-dithiol 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 2,3,5,6-tetramethylbenzene-1,4-dithiol?
The IUPAC name of 2,3,5,6-tetramethylbenzene-1,4-dithiol (CID 10867305) is 2,3,5,6-tetramethylbenzene-1,4-dithiol.
What is the SMILES notation for 2,3,5,6-tetramethylbenzene-1,4-dithiol?
The canonical SMILES for 2,3,5,6-tetramethylbenzene-1,4-dithiol is Cc1c(C)c(S)c(C)c(C)c1S.
What is the InChIKey of 2,3,5,6-tetramethylbenzene-1,4-dithiol?
The InChIKey is OLBBOLUTXVRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3.
What are the key properties of 2,3,5,6-tetramethylbenzene-1,4-dithiol?
2,3,5,6-tetramethylbenzene-1,4-dithiol has a molecular weight of 198.36 g/mol, XLogP of 3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylbenzene-1,4-dithiol is sourced from PubChem (CID 10867305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).