ChemDB: Chemical Search
Download
Chemical ID: 4687684
Chemical ID:
4687684
Name [?]:
3-(2-carbamoylethyldisulfanyl)propanamide
SMILES [?]:
C(CSSCCC(=O)N)C(=O)N
InChi [?]:
InChI=1/C6H12N2O2S2/c7-5(9)1-3-11-12-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChi Info:
AuxInfo=1/1/N:1,6,2,5,10,7,12,9,11,8,3,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12nCCSSCCCONCON/rB:s1;s2;s3;s4;s5;s6;d7;s7;s1;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12N2O2S2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89433 |
Area: | 394.203 |
Solvation: | -2.96075 |
Coulombic: | -48.2058 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.304 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | -0.94 |
LogP (Chemaxon): | -1.07 |
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 |
---|