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

C10H14S2 — CID 15902655

IUPAC3,4,5,6-tetramethylbenzene-1,2-dithiol
SMILESCc1c(C)c(C)c(S)c(S)c1C
InChIInChI=1S/C10H14S2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h11-12H,1-4H3
InChIKeyCVTBHCIWVDLPIW-UHFFFAOYSA-N
MW198.36 g/mol
LogP3.50
Rot. Bonds

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

3,4,5,6-tetramethylbenzene-1,2-dithiol (PubChem CID 15902655) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is 3,4,5,6-tetramethylbenzene-1,2-dithiol.

Molecular Properties

Compound Name3,4,5,6-tetramethylbenzene-1,2-dithiol
PubChem CID15902655
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name3,4,5,6-tetramethylbenzene-1,2-dithiol
SMILESCc1c(C)c(C)c(S)c(S)c1C
InChIInChI=1S/C10H14S2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h11-12H,1-4H3
InChIKeyCVTBHCIWVDLPIW-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'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethylbenzene-1,2-dithiol?
The IUPAC name of 3,4,5,6-tetramethylbenzene-1,2-dithiol (CID 15902655) is 3,4,5,6-tetramethylbenzene-1,2-dithiol.
What is the SMILES notation for 3,4,5,6-tetramethylbenzene-1,2-dithiol?
The canonical SMILES for 3,4,5,6-tetramethylbenzene-1,2-dithiol is Cc1c(C)c(C)c(S)c(S)c1C.
What is the InChIKey of 3,4,5,6-tetramethylbenzene-1,2-dithiol?
The InChIKey is CVTBHCIWVDLPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S2/c1-5-6(2)8(4)10(12)9(11)7(5)3/h11-12H,1-4H3.
What are the key properties of 3,4,5,6-tetramethylbenzene-1,2-dithiol?
3,4,5,6-tetramethylbenzene-1,2-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 3,4,5,6-tetramethylbenzene-1,2-dithiol is sourced from PubChem (CID 15902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).