ChemDB: Chemical Search
Download
Chemical ID: 6919569
Chemical ID:
6919569
Name [?]:
N,N-dimethylpentathiocan-7-amine
SMILES [?]:
CN(C)C1CSSSSSC1
InChi [?]:
InChI=1/C5H11NS5/c1-6(2)5-3-7-9-11-10-8-4-5/h5H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,11,4,2,6,10,7,9,8/E:(1,2)(3,4)(7,8)(9,10)/rA:11nCNCCCSSSSSC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s4s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H11NS5 |
All Atoms: | 22 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26709 |
Area: | 360.833 |
Solvation: | -0.753723 |
Coulombic: | -5.68547 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.478 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.53 |
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 |
---|