Chemical ID: 4731352

CCOC(=O)c1c2c(c(s1)SCC=C)C(=O)CCC2
Chemical ID:
4731352
Name [?]:
ethyl 7-allylsulfanyl-5-oxo-8-thiabicyclo[4.3.0]nona-6,9-diene-9-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(c(s1)SCC=C)C(=O)CCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H16O3S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.30654
Area:482.732
Solvation:-2.76177
Coulombic:-29.5985
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.407
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.83
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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