O-(2-{[Hydroxy(methylsulfanyl)methylidene]amino}ethyl) S-methyl carbonothioate
Basic information
- CAS
6944-93-0- Standard SMILES
CSC(=O)NCCOC(=O)SC- InChIKey
QJPFGXCRXKTXRF-UHFFFAOYSA-N- Molecular formula
- C6H11NO3S2
- Average molar mass
- 209.3 g/mol
- Monoisotopic mass
- 209.01803556
Names & identifiers
- Preferred name
- O-(2-{[Hydroxy(methylsulfanyl)methylidene]amino}ethyl) S-methyl carbonothioate
- IUPAC
- 2-(methylsulfanylcarbonylamino)ethyl methylsulfanylformate
Names & synonyms
6944-93-0NSC59323DTXSID60989302NSC-59323O-(2-{[Hydroxy(methylsulfanyl)methylidene]amino}ethyl) S-methyl carbonothioateO-2-{[Hydroxy(methylsulfanyl)methylidene]amino}ethyl S-methyl carbonothioate
Database identifiers
- CAS
6944-93-0- PubChem CID
- 246368
- DTXSID
DTXSID60989302
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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