2-(2,6-Dimethylhepta-1,5-dien-1-YL)-4-methyl-1,3-dithiolane

HCID 53709752
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Basic information

CAS
92530-57-9
Standard SMILES
CC(C)=CCCC(C)=CC1SCC(C)S1
InChIKey
BZRNADAVLVEJDR-UHFFFAOYSA-N
Molecular formula
C13H22S2
Average molar mass
242.4 g/mol
Monoisotopic mass
242.11629305

Names & identifiers

Preferred name
2-(2,6-Dimethylhepta-1,5-dien-1-YL)-4-methyl-1,3-dithiolane
IUPAC
2-(2,6-dimethylhepta-1,5-dienyl)-4-methyl-1,3-dithiolane

Names & synonyms

92530-57-9SCHEMBL10889221DTXSID30706109BZRNADAVLVEJDR-UHFFFAOYSA-N2-(2,6-DIMETHYLHEPTA-1,5-DIEN-1-YL)-4-METHYL-1,3-DITHIOLANE2-(2,6-DIMETHYL-1,5-HEPTADIENYL)-4-METHYL-1,3-DITHIOLANE

Database identifiers

CAS
92530-57-9
PubChem CID
53709752
DTXSID
DTXSID30706109

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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