7,14,15-Trithiadispiro(5.1.5.2)pentadecane

HCID 293607

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Basic information

CAS: 179-01-1
Standard SMILES: C1CCC2(CC1)SSC1(CCCCC1)S2
InChIKey: JMYOFHYPWLGLKX-UHFFFAOYSA-N
Molecular formula: C12H20S3
Average molar mass: 260.5 g/mol
Monoisotopic mass: 260.07271416

Names & identifiers

Preferred name: 7,14,15-Trithiadispiro(5.1.5.2)pentadecane
IUPAC: 7,14,15-trithiadispiro[5.1.58.26]pentadecane

Names & synonyms

7,14,15-Trithiadispiro(5.1.5.2)pentadecane179-01-1LN41MVB319UNII-LN41MVB319NSC 160440NSC-160440DTXSID301707607,14,15-Trithiadispiro[5.1.5.2]pentadecane1,2,4-TRITHIOLANE, 3,3:5,5-BIS(1,5-PENTANEDIYL)-RefChem:105462DTXCID6093251NSC160440

Show more names

7,14,15-trithiadispiro[5.1.5^{8}.2^{6}]pentadecane7,14,15-Trithiadispiro[5.1.5~8~.2~6~]pentadecane

Database identifiers

CAS: 179-01-1
PubChem CID: 293607
DTXSID: DTXSID30170760
UNII: LN41MVB319
Nikkaji: J2.829.255D

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 75.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 203

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