2-Thiazolidinethione, 3,3'-hexamethylenebis(4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5,5'-diacetate
Basic information
- CAS
23509-80-0- Standard SMILES
CC(=O)OCCC1SC(=S)N(CCCCCCN2C(=S)SC(CCOC(C)=O)C2(C)O)C1(C)O- InChIKey
SBJODACRXYHVRZ-UHFFFAOYSA-N- Molecular formula
- C22H36N2O6S4
- Average molar mass
- 552.8 g/mol
- Monoisotopic mass
- 552.14562157
Names & identifiers
- Preferred name
- 2-Thiazolidinethione, 3,3'-hexamethylenebis(4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5,5'-diacetate
- IUPAC
- 2-[3-[6-[5-(2-acetyloxyethyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl]hexyl]-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl acetate
Names & synonyms
23509-80-02-Thiazolidinethione, 3,3'-hexamethylenebis(4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5,5'-diacetateRefChem:267267DTXSID30946220(Hexane-1,6-diyl)bis[(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidine-3,5-diyl)ethane-2,1-diyl] diacetate
Database identifiers
- CAS
23509-80-0- PubChem CID
- 211658
- DTXSID
DTXSID30946220
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 710
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Related reactions
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Compound notes
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