diethylcarbamothioylsulfanylN,N-diethylcarbamodithioate
Inhibitor information
- CovInDB Inhibitor
- CI002169
- Name
- diethylcarbamothioylsulfanylN,N-diethylcarbamodithioate
- Molecular Formula
- C10H20N2S4
- Molecular Weight
- 296.05
- Structure
-
- IUPAC Name
- diethylcarbamothioylsulfanylN,N-diethylcarbamodithioate
- InChI
- InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
- InChI Key
- AUZONCFQVSMFAP-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=S)SSC(=S)N(CC)CC
Calculated Properties
- Molecular Weight
-
296.05
Computed by RDKit
- logP
-
3.88
Computed by ALOGPS
- logS
-
-4.37
Computed by ALOGPS
- Heavy Atom Count
-
16
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
-
4
Computed by RDKit
- Topological Polar Surface Area
-
6.48 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
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selectivity
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