Carbonic acid, trithio-, bis(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester
Basic information
- CAS
71605-60-2- Standard SMILES
CN(CCSC(=S)SCCN(C)c1cccc2nsnc12)c1cccc2nsnc12- InChIKey
SXXLKGQQCPHSAA-UHFFFAOYSA-N- Molecular formula
- C19H20N6S5
- Average molar mass
- 492.7 g/mol
- Monoisotopic mass
- 492.03530053
Names & identifiers
- Preferred name
- Carbonic acid, trithio-, bis(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester
- IUPAC
- bis[2-[2,1,3-benzothiadiazol-4-yl(methyl)amino]ethylsulfanyl]methanethione
Names & synonyms
BRN 5413434Carbonic acid, trithio-, bis(2-((2,1,3-benzothia(S(sup IV))diazol-4-yl)methylamino)ethyl)ester71605-60-2DTXSID90221843S,S',beta,beta',N,N-(4-Methylbenzo-2,1,3-thiadiazolyl)aminoethylthiocarbonateRefChem:333452DTXCID20144334Bis{2-[(2,1,3-benzothiadiazol-4-yl)(methyl)amino]ethyl} carbonotrithioate
Database identifiers
- CAS
71605-60-2- PubChem CID
- 51364
- DTXSID
DTXSID90221843
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 526
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Related reactions
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Compound notes
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