Chemical ID: 5190898

C1CCc2c(sc(=O)s2)C1
Chemical ID:
5190898
Name [?]:
7,9-dithiabicyclo[4.3.0]non-10-en-8-one
SMILES [?]:
C1CCc2c(sc(=O)s2)C1
InChi [?]:
InChI=1/C7H8OS2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2
InChi Info:
AuxInfo=1/0/N:1,2,10,3,5,4,7,8,6,9/E:(1,2)(3,4)(5,6)(9,10)/rA:10nCCCCCSCOSC/rB:s1;s2;s3;d4;s5;s6;d7;s4s7;s1s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8OS2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.62079
Area:306.122
Solvation:-1.03227
Coulombic:-10.9339
Bond Count [?]
All:11
Single:9
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:172.27
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.96
LogP (Chemaxon):1.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue