ChemDB: Chemical Search
Download
Chemical ID: 6045664
Chemical ID:
6045664
Name [?]:
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILES [?]:
Cn1c(=O)n(c(=O)s1)Cc2ccccc2
InChi [?]:
InChI=1/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,9,10,3,6,2,5,4,7,8/E:(3,4)(5,6)/rA:15nCNCONCOSCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s2s6;s5;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7862 |
Area: | 377.242 |
Solvation: | -1.64485 |
Coulombic: | -36.7042 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.265 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.23 |
LogP (Chemaxon): | 2.39 |
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 |
---|