Ethanimidothioic acid, N,N'-(1,2-ethanediylbis(thio(methylimino)carbonyloxy)bis-, dimethyl ester
Basic information
- CAS
69181-34-6- Standard SMILES
CSC(C)=NOC(=O)N(C)SCCSN(C)C(=O)ON=C(C)SC- InChIKey
PDGPJACCIICSLR-UHFFFAOYSA-N- Molecular formula
- C12H22N4O4S4
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 414.05238989
Names & identifiers
- Preferred name
- Ethanimidothioic acid, N,N'-(1,2-ethanediylbis(thio(methylimino)carbonyloxy)bis-, dimethyl ester
- IUPAC
- methyl N-[methyl-[2-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylethylsulfanyl]carbamoyl]oxyethanimidothioate
Names & synonyms
DPX 6099Ethanimidothioic acid, N,N'-(1,2-ethanediylbis(thio(methylimino)carbonyloxy)bis-, dimethyl esterEthanimidothioic acid, N,N'-[1,2-ethanediylbis[thio(methylimino)carbonyloxy]]bis-, dimethyl esterEthanimidothioic acid, N,N'-(1,2-ethanediylbis(thio(methylimino)carbonyloxy))bis-, dimethyl esterDTXSID5073614RefChem:340620DTXCID204646869181-34-6
Database identifiers
- CAS
69181-34-6- PubChem CID
- 93397
- DTXSID
DTXSID5073614
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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