ChemDB: Chemical Search
Download
Chemical ID: 6191707
Chemical ID:
6191707
Name [?]:
2,5-dimethyl-4-(p-tolyl)thiazole
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)C)C
InChi [?]:
InChI=1/C12H13NS/c1-8-4-6-11(7-5-8)12-9(2)14-10(3)13-12/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,13,3,7,4,6,2,9,11,5,8,12,10/E:(4,5)(6,7)/rA:14nCCCCCCCCCSCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49403 |
Area: | 380.433 |
Solvation: | -1.0168 |
Coulombic: | -7.01905 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.23 |
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 |
---|