ChemDB: Chemical Search
Download
Chemical ID: 7514556
Chemical ID:
7514556
Name [?]:
2-methyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazole
SMILES [?]:
Cc1ccc(cc1)OCCSc2nnc(s2)C
InChi [?]:
InChI=1/C12H14N2OS2/c1-9-3-5-11(6-4-9)15-7-8-16-12-14-13-10(2)17-12/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,9,10,2,15,5,12,14,13,8,11,16/E:(3,4)(5,6)/rA:17nCCCCCCCOCCSCNNCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2OS2 |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.55872 |
Area: | 472.143 |
Solvation: | -2.24485 |
Coulombic: | -13.4944 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.01 |
LogP (Chemaxon): | None |
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 |
---|