5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol

C20H24S2 — CID 139313158

IUPAC5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol
SMILESCc1ccc2c(c1)C(C)CC2c1c(C)c(S)c(C)c(S)c1C
InChIInChI=1S/C20H24S2/c1-10-6-7-15-16(8-10)11(2)9-17(15)18-12(3)19(21)14(5)20(22)13(18)4/h6-8,11,17,21-22H,9H2,1-5H3
InChIKeyVTBALZZPUSAQQK-UHFFFAOYSA-N
MW328.55 g/mol
LogP6.14
Rot. Bonds1

About 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol

5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol (PubChem CID 139313158) has the molecular formula C20H24S2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol.

Molecular Properties

Compound Name5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol
PubChem CID139313158
Molecular FormulaC20H24S2
Molecular Weight328.55 g/mol
Exact Mass328.13
IUPAC Name5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol
SMILESCc1ccc2c(c1)C(C)CC2c1c(C)c(S)c(C)c(S)c1C
InChIInChI=1S/C20H24S2/c1-10-6-7-15-16(8-10)11(2)9-17(15)18-12(3)19(21)14(5)20(22)13(18)4/h6-8,11,17,21-22H,9H2,1-5H3
InChIKeyVTBALZZPUSAQQK-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.55
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-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 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol?
The IUPAC name of 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol (CID 139313158) is 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol.
What is the SMILES notation for 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol?
The canonical SMILES for 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol is Cc1ccc2c(c1)C(C)CC2c1c(C)c(S)c(C)c(S)c1C.
What is the InChIKey of 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol?
The InChIKey is VTBALZZPUSAQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S2/c1-10-6-7-15-16(8-10)11(2)9-17(15)18-12(3)19(21)14(5)20(22)13(18)4/h6-8,11,17,21-22H,9H2,1-5H3.
What are the key properties of 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol?
5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol has a molecular weight of 328.55 g/mol, XLogP of 6.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-2,4,6-trimethylbenzene-1,3-dithiol is sourced from PubChem (CID 139313158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).