Basic information
- CAS
42207-85-2- Standard SMILES
CCN(CC)C(=S)Sc1nsc(SC(=S)N(CC)CC)c1C#N- InChIKey
INIMBGNKJIGYPY-UHFFFAOYSA-N- Molecular formula
- C14H20N4S5
- Average molar mass
- 404.7 g/mol
- Monoisotopic mass
- 404.02915252
Names & identifiers
- Preferred name
- [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
- IUPAC
- [4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioate
Names & synonyms
42207-85-2[4-cyano-3-(diethylcarbamothioylsulfanyl)-1,2-thiazol-5-yl] N,N-diethylcarbamodithioateNSC328110Oprea1_382183DTXSID30318266CCG-236549NSC-328110DS-008563NS00017794BRD-K63362894-001-01-04-Cyano-1,2-thiazole-3,5-diyl bis(diethylcarbamodithioate)4-Cyanoisothiazole-3,5-diyl bis[diethyl(dithiocarbamate)]
Show more names
[4-cyano-5-(diethylcarbamothioylsulfanyl)isothiazol-3-yl] N,N-diethylcarbamodithioate1-[4-Cyano-3-(diethylthiocarbamoylsulfanyl)thiazol-5-yl]sulfanyl-n,n-diethyl-methanethioamide
Database identifiers
- CAS
42207-85-2- PubChem CID
- 332173
- DTXSID
DTXSID30318266
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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