Chemical ID: 4731348

CCCSc1c2c(c(s1)C(=O)OCC)CCCC2=O
Chemical ID:
4731348
Name [?]:
ethyl 2-oxo-9-propylsulfanyl-8-thiabicyclo[4.3.0]nona-6,9-diene-7-carboxylate
SMILES [?]:
CCCSc1c2c(c(s1)C(=O)OCC)CCCC2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H18O3S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.50103
Area:486.25
Solvation:-2.65523
Coulombic:-28.5093
Bond Count [?]
All:20
Single:16
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.423
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.2
LogP (Chemaxon):2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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