3,6-dimethylbenzene-1,2-dithiol

C8H10S2 — CID 10036980

IUPAC3,6-dimethylbenzene-1,2-dithiol
SMILESCc1ccc(C)c(S)c1S
InChIInChI=1S/C8H10S2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3
InChIKeySHIZASOIRBQZSX-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.88
Rot. Bonds

About 3,6-dimethylbenzene-1,2-dithiol

3,6-dimethylbenzene-1,2-dithiol (PubChem CID 10036980) has the molecular formula C8H10S2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,6-dimethylbenzene-1,2-dithiol.

Molecular Properties

Compound Name3,6-dimethylbenzene-1,2-dithiol
PubChem CID10036980
Molecular FormulaC8H10S2
Molecular Weight170.30 g/mol
Exact Mass170.02
IUPAC Name3,6-dimethylbenzene-1,2-dithiol
SMILESCc1ccc(C)c(S)c1S
InChIInChI=1S/C8H10S2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3
InChIKeySHIZASOIRBQZSX-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.88
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 3,6-dimethylbenzene-1,2-dithiol?
The IUPAC name of 3,6-dimethylbenzene-1,2-dithiol (CID 10036980) is 3,6-dimethylbenzene-1,2-dithiol.
What is the SMILES notation for 3,6-dimethylbenzene-1,2-dithiol?
The canonical SMILES for 3,6-dimethylbenzene-1,2-dithiol is Cc1ccc(C)c(S)c1S.
What is the InChIKey of 3,6-dimethylbenzene-1,2-dithiol?
The InChIKey is SHIZASOIRBQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3.
What are the key properties of 3,6-dimethylbenzene-1,2-dithiol?
3,6-dimethylbenzene-1,2-dithiol has a molecular weight of 170.30 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylbenzene-1,2-dithiol is sourced from PubChem (CID 10036980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).