Basic information
- CAS
63942-44-9- Standard SMILES
CSC(=NOC(=O)N(C)SN(C)C(=O)ON=C(SC)C(=O)N(C)C)C(=O)N(C)C- InChIKey
KYGNEASLKQITST-UHFFFAOYSA-N- Molecular formula
- C14H24N6O6S3
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.09194603
Names & identifiers
- Preferred name
- Ethanimidothioic acid, N,Na(2)-[thiobis[(methylimino)carbonyloxy]]bis[2-(dimethylamino)-2-oxo-, dimethyl ester
- IUPAC
- methyl 2-(dimethylamino)-N-[[[[2-(dimethylamino)-1-methylsulfanyl-2-oxoethylidene]amino]oxycarbonyl-methylamino]sulfanyl-methylcarbamoyl]oxy-2-oxoethanimidothioate
Names & synonyms
SCHEMBL11124808DTXSID001109653Ethanimidothioic acid, N,Na(2)-[thiobis[(methylimino)carbonyloxy]]bis[2-(dimethylamino)-2-oxo-, dimethyl ester
Database identifiers
- CAS
63942-44-9- PubChem CID
- 54020006
- DTXSID
DTXSID001109653
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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