ChemDB: Chemical Search
Download
Chemical ID: 6623509
Chemical ID:
6623509
Name [?]:
2,3-dibutyl-1,4-bis(2-thienyl)butane-1,4-dione
SMILES [?]:
CCCCC(C(CCCC)C(=O)c1cccs1)C(=O)c2cccs2
InChi [?]:
InChI=1/C20H26O2S2/c1-3-5-9-15(19(21)17-11-7-13-23-17)16(10-6-4-2)20(22)18-12-8-14-24-18/h7-8,11-16H,3-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,9,3,8,22,15,4,7,21,14,23,16,5,6,20,13,18,11,19,12,24,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24cCCCCCCCCCCCOCCCCSCOCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6;d11;s11;d13;s14;d15;s13s16;s5;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O2S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.2561 |
Area: | 578.869 |
Solvation: | -2.21566 |
Coulombic: | -20.5647 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 362.551 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.22 |
LogP (Chemaxon): | 5.0 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|