Chemical ID: 4731724

CC(=O)c1cc2c(s1)SCC(=O)N2
Chemical ID:
4731724
Name [?]:
8-acetyl-5,7-dithia-2-azabicyclo[4.3.0]nona-8,10-dien-3-one
SMILES [?]:
CC(=O)c1cc2c(s1)SCC(=O)N2
InChi [?]:
InChI=1/C8H7NO2S2/c1-4(10)6-2-5-8(13-6)12-3-7(11)9-5/h2H,3H2,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,5,10,2,6,4,11,7,13,3,12,9,8/rA:13nCCOCCCCSSCCON/rB:s1;d2;s2;d4;s5;d6;s4s7;s7;s9;s10;d11;s6s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO2S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.38202
Area:359.119
Solvation:-2.59596
Coulombic:-27.4376
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:213.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.03
LogP (Chemaxon):0.06

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