dimethylcarbamothioylsulfanylN,N-dimethylcarbamodithioate
Inhibitor information
- CovInDB Inhibitor
- CI002346
- Name
- dimethylcarbamothioylsulfanylN,N-dimethylcarbamodithioate
- Molecular Formula
- C6H12N2S4
- Molecular Weight
- 239.99
- Structure
-
- IUPAC Name
- dimethylcarbamothioylsulfanylN,N-dimethylcarbamodithioate
- InChI
- InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
- InChI Key
- KUAZQDVKQLNFPE-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)C(=S)SSC(=S)N(C)C
Calculated Properties
- Molecular Weight
-
239.99
Computed by RDKit
- logP
-
2.18
Computed by ALOGPS
- logS
-
-3.74
Computed by ALOGPS
- Heavy Atom Count
-
12
Computed by RDKit
- Ring Count
-
0
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
0
Computed by RDKit
- Rotatable Bond Count
-
0
Computed by RDKit
- Topological Polar Surface Area
-
6.48 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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