Chemical ID: 4666389

c1ccc(cc1)C(CC(=O)c2cccs2)CC(=O)c3cccs3
Chemical ID:
4666389
Name [?]:
3-phenyl-1,5-bis(2-thienyl)pentane-1,5-dione
SMILES [?]:
c1ccc(cc1)C(CC(=O)c2cccs2)CC(=O)c3cccs3
InChi [?]:
InChI=1/C19H16O2S2/c20-16(18-8-4-10-22-18)12-15(14-6-2-1-3-7-14)13-17(21)19-9-5-11-23-19/h1-11,15H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,21,3,5,12,20,14,22,8,16,4,7,9,17,11,19,10,18,15,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)(20,21)(22,23)/rA:23nCCCCCCCCCOCCCCSCCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s12;d13;s11s14;s7;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0901
Area:539.92
Solvation:-3.40788
Coulombic:-18.5064
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.461
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.96
LogP (Chemaxon):3.44

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