Basic information
- CAS
89149-18-8- Standard SMILES
COCCOC(=O)CN=C=S- InChIKey
BCQUBRWTYPMLHS-UHFFFAOYSA-N- Molecular formula
- C6H9NO3S
- Average molar mass
- 175.21 g/mol
- Monoisotopic mass
- 175.03031432
Names & identifiers
- Preferred name
- 2-Methoxyethyl N-(sulfanylidenemethylidene)glycinate
- IUPAC
- 2-methoxyethyl 2-isothiocyanatoacetate
Names & synonyms
89149-18-82-Methoxyethyl N-(sulfanylidenemethylidene)glycinateSCHEMBL10664154DTXSID00705866
Database identifiers
- CAS
89149-18-8- PubChem CID
- 53675163
- DTXSID
DTXSID00705866
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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