(Thiiran-2-yl)methyl (1-oxo-3-sulfanylidene-1,3-dihydro-2H-isoindol-2-yl)acetate
Basic information
- CAS
109219-00-3- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=S)OCC1CS1- InChIKey
NBYNEBJULHUEGZ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3S2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.01803556
Names & identifiers
- Preferred name
- (Thiiran-2-yl)methyl (1-oxo-3-sulfanylidene-1,3-dihydro-2H-isoindol-2-yl)acetate
- IUPAC
- thiiran-2-ylmethyl 2-(1-oxo-3-sulfanylideneisoindol-2-yl)acetate
Names & synonyms
109219-00-3DTXSID50911036(Thiiran-2-yl)methyl (1-oxo-3-sulfanylidene-1,3-dihydro-2H-isoindol-2-yl)acetateRefChem:1051242DTXCID701340078BRL 664BRN 12573541,3-Dioxothioisoindoline-2-acetic acid S-2,3-epithiopropyl esterISOINDOLINE-2-ACETIC ACID, 1,3-DIOXOTHIO-, S-2,3-EPITHIOPROPYL ESTER5-21-10-00463 (Beilstein Handbook Reference)
Database identifiers
- CAS
109219-00-3- PubChem CID
- 60301
- DTXSID
DTXSID50911036
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
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Related reactions
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Compound notes
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