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Chemical ID: 4910680
Chemical ID:
4910680
Name [?]:
8$l^{6}-thiabicyclo[4.2.0]octa-2,4,9-triene 8,8-dioxide
SMILES [?]:
c1ccc2c(c1)CS2(=O)=O
InChi [?]:
InChI=1/C7H6O2S/c8-10(9)5-6-3-1-2-4-7(6)10/h1-4H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,5,4,9,10,8/E:(8,9)/CRV:10.6/rA:10nCCCCCCCSOO/rB:s1;d2;s3;d4;d1s5;s5;s4s7;d8;d8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6O2S |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 22.7402 |
Area: | 41.1416 |
Solvation: | 21.7117 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 11 |
Single: | 6 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 154.187 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.97 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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