ChemDB: Chemical Search
Download
Chemical ID: 4734503
Chemical ID:
4734503
Name [?]:
(3,4-dichlorophenyl)thiourea
SMILES [?]:
c1cc(c(cc1NC(=S)N)Cl)Cl
InChi [?]:
InChI=1/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,8,12,11,10,7,9/rA:12nCCCCCCNCSNClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s4;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6Cl2N2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25191 |
Area: | 367.35 |
Solvation: | -0.931832 |
Coulombic: | -29.9575 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.107 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.87 |
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 |
---|