ChemDB: Chemical Search
Download
Chemical ID: 7395331
Chemical ID:
7395331
Name [?]:
2-(2-furylmethylsulfanyl)-5-methyl-furan
SMILES [?]:
Cc1ccc(o1)SCc2ccco2
InChi [?]:
InChI=1/C10H10O2S/c1-8-4-5-10(12-8)13-7-9-3-2-6-11-9/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,3,4,12,8,2,9,5,13,6,7/rA:13nCCCCCOSCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O2S |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76185 |
Area: | 373.59 |
Solvation: | -2.57789 |
Coulombic: | -14.3953 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 194.251 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.32 |
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 |
---|