ChemDB: Chemical Search
Download
Chemical ID: 6658696
Chemical ID:
6658696
Name [?]:
N-cyclohexylbenzothiazole-2-sulfenamide
SMILES [?]:
c1ccc2c(c1)nc(s2)SNC3CCCCC3
InChi [?]:
InChI=1/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:15,14,16,1,2,13,17,6,3,12,5,4,8,7,11,9,10/E:(2,3)(6,7)/rA:17nCCCCCCNCSSNCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2S2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3788 |
Area: | 452.665 |
Solvation: | -0.937857 |
Coulombic: | -16.0298 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 264.412 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.46 |
LogP (Chemaxon): | 4.58 |
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 |
---|