dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium

C19H25O4S3+ — CID 163658221

IUPACdimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium
SMILESCCC(C)(C)c1sc(-c2sc([S+](C)C)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C19H25O4S3/c1-6-19(2,3)17-13-11(20-7-9-22-13)15(24-17)16-12-14(23-10-8-21-12)18(25-16)26(4)5/h6-10H2,1-5H3/q+1
InChIKeyISBURCKESDKGAP-UHFFFAOYSA-N
MW413.61 g/mol
LogP4.94
Rot. Bonds4

About dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium

dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium (PubChem CID 163658221) has the molecular formula C19H25O4S3+ and a molecular weight of 413.61 g/mol. Its IUPAC name is dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium.

Molecular Properties

Compound Namedimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium
PubChem CID163658221
Molecular FormulaC19H25O4S3+
Molecular Weight413.61 g/mol
Exact Mass413.09
IUPAC Namedimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium
SMILESCCC(C)(C)c1sc(-c2sc([S+](C)C)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C19H25O4S3/c1-6-19(2,3)17-13-11(20-7-9-22-13)15(24-17)16-12-14(23-10-8-21-12)18(25-16)26(4)5/h6-10H2,1-5H3/q+1
InChIKeyISBURCKESDKGAP-UHFFFAOYSA-N
XLogP4.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium 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 dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium?
The IUPAC name of dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium (CID 163658221) is dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium.
What is the SMILES notation for dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium?
The canonical SMILES for dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium is CCC(C)(C)c1sc(-c2sc([S+](C)C)c3c2OCCO3)c2c1OCCO2.
What is the InChIKey of dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium?
The InChIKey is ISBURCKESDKGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O4S3/c1-6-19(2,3)17-13-11(20-7-9-22-13)15(24-17)16-12-14(23-10-8-21-12)18(25-16)26(4)5/h6-10H2,1-5H3/q+1.
What are the key properties of dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium?
dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium has a molecular weight of 413.61 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[7-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]sulfanium is sourced from PubChem (CID 163658221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).