ChemDB: Chemical Search
Download
Chemical ID: 4730074
Chemical ID:
4730074
Name [?]:
2-(4-methoxyphenyl)thioacetamide
SMILES [?]:
COc1ccc(cc1)CC(=S)N
InChi [?]:
InChI=1/C9H11NOS/c1-11-8-4-2-7(3-5-8)6-9(10)12/h2-5H,6H2,1H3,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,9,6,3,10,12,2,11/E:(2,3)(4,5)/rA:12nCOCCCCCCCCSN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NOS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.3108 |
Area: | 344.391 |
Solvation: | -2.29897 |
Coulombic: | -24.8409 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.256 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.29 |
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 |
---|