ChemDB: Chemical Search
Download
Chemical ID: 4553908
Chemical ID:
4553908
Name [?]:
5-[2-[(5-formyl-2-thienyl)sulfanyl]ethylsulfanyl]thiophene-2-carbaldehyde
SMILES [?]:
c1cc(sc1C=O)SCCSc2ccc(s2)C=O
InChi [?]:
InChI=1/C12H10O2S4/c13-7-9-1-3-11(17-9)15-5-6-16-12-4-2-10(8-14)18-12/h1-4,7-8H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,14,2,13,9,10,6,17,5,15,3,12,7,18,8,11,4,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCSCCOSCCSCCCCSCO/rB:s1;d2;s3;d1s4;s5;d6;s3;s8;s9;s10;s11;d12;s13;d14;s12s15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10O2S4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4335 |
Area: | 518.327 |
Solvation: | -4.52467 |
Coulombic: | -16.1692 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.471 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.75 |
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 |
---|