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Dipropyl (1,3-dithietan-2-ylidene)propanedioate

HCID 15565635
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Basic information

CAS
62280-75-5
Standard SMILES
CCCOC(=O)C(C(=O)OCCC)=C1SCS1
InChIKey
SKZXMXFXIKIRTC-UHFFFAOYSA-N
Molecular formula
C11H16O4S2
Average molar mass
276.4 g/mol
Monoisotopic mass
276.04900133

Names & identifiers

Preferred name
Dipropyl (1,3-dithietan-2-ylidene)propanedioate
IUPAC
dipropyl 2-(1,3-dithietan-2-ylidene)propanedioate

Names & synonyms

62280-75-5Dipropyl (1,3-dithietan-2-ylidene)propanedioateDTXSID60574358

Database identifiers

CAS
62280-75-5
PubChem CID
15565635
DTXSID
DTXSID60574358

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
17
Formal charge
0
Complexity
297

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