Chemical ID: 4701732

c1ccc2c(c1)c(=O)ss2
Chemical ID:
4701732
Name [?]:
8,9-dithiabicyclo[4.3.0]nona-2,4,10-trien-7-one
SMILES [?]:
c1ccc2c(c1)c(=O)ss2
InChi [?]:
InChI=1/C7H4OS2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,8,10,9/rA:10nCCCCCCCOSS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4OS2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.51153
Area:302.354
Solvation:-1.04731
Coulombic:-10.8412
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.238
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.06
LogP (Chemaxon):2.39

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Descriptor Annotations

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