General Information of the Compound
| Compound ID |
CP0202992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl-1,3-thiazinane-3-carbodithioate
Show/Hide
|
||||||||||||||||||
| Formula |
C17H24N2S3
|
||||||||||||||||||
| Molecular Weight |
352.594
|
||||||||||||||||||
| Canonical SMILES |
CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CJJSYYLZHUPKBQ-SDXDJHTJSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||