ChemDB: Chemical Search
Download
Chemical ID: 7090026
Chemical ID:
7090026
Name [?]:
[(3-methoxyphenyl)-methyl-amino]methanethioyl chloride
SMILES [?]:
CN(c1cccc(c1)OC)C(=S)Cl
InChi [?]:
InChI=1/C9H10ClNOS/c1-11(9(10)13)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,6,8,3,7,11,13,2,9,12/rA:13nCNCCCCCCOCCSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNOS |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51033 |
Area: | 377.938 |
Solvation: | -1.93812 |
Coulombic: | -16.4029 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.701 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.69 |
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 |
---|