1,3,3,5,7,7-Hexamethyl-2,4,6,8-tetrathiabicyclo[3.3.1]nonane

HCID 575901

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Basic information

CAS: 57289-15-3
Standard SMILES: CC1(C)SC2(C)CC(C)(S1)SC(C)(C)S2
InChIKey: PONGNTWWNQTAGX-UHFFFAOYSA-N
Molecular formula: C11H20S4
Average molar mass: 280.5 g/mol
Monoisotopic mass: 280.04478533

Names & identifiers

Preferred name: 1,3,3,5,7,7-Hexamethyl-2,4,6,8-tetrathiabicyclo[3.3.1]nonane
IUPAC: 1,3,3,5,7,7-hexamethyl-2,4,6,8-tetrathiabicyclo[3.3.1]nonane
English name: 1,3,3,5,7,7-Hexamethyl-2,4,6,8-tetrathiabicyclo[3.3.1]nonane
Molecular formula: C11H20S4
Molecular weight: 280.54

Names & synonyms

1,3,3,5,7,7-Hexamethyl-2,4,6,8-tetrathiabicyclo[3.3.1]nonane57289-15-3DTXSID40341808PONGNTWWNQTAGX-UHFFFAOYSA-N2,4,6,8-Tetrathiabicyclo[3.3.1]nonane, 1,3,3,5,7,7-hexamethyl-DB-2591361,3,3,5,7,7-Hexamethyl-2,4,6,8-tetrathiabicyclo[3.3.1]nonane #

Database identifiers

CAS: 57289-15-3
PubChem CID: 575901
DTXSID: DTXSID40341808
Nikkaji: J111.420D

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 101 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 238

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