ChemDB: Chemical Search
Download
Chemical ID: 4099624
Chemical ID:
4099624
Name [?]:
6-anilino-3-methylsulfanyl-1,2,5-thiadiazin-4-one
SMILES [?]:
CSc1c(=O)nc(sn1)Nc2ccccc2
InChi [?]:
InChI=1/C10H9N3OS2/c1-15-9-8(14)12-10(16-13-9)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,11,4,3,7,10,6,9,5,2,8/E:(3,4)(5,6)/rA:16nCSCCONCSNNCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d3s8;s7;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3OS2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.71097 |
Area: | 411.101 |
Solvation: | -1.56656 |
Coulombic: | -34.5647 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.03 |
LogP (Chemaxon): | 3.12 |
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 |
---|