Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate
Basic information
- CAS
7250-42-2- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1.OCC[S+](CCO)CCSCCCl- InChIKey
RJVNPFZVXFFCFH-UHFFFAOYSA-M- Molecular formula
- C14H20ClN3O11S3
- Average molar mass
- 538 g/mol
- Monoisotopic mass
- 536.9948497
Names & identifiers
- Preferred name
- Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonate
- IUPAC
- 2-(2-chloroethylsulfanyl)ethyl-bis(2-hydroxyethyl)sulfanium;2,4,6-trinitrobenzenesulfonate
Names & synonyms
NSC 300267250-42-2Sulfonium, bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethyl-, picrylsulfonatebeta-Chloroethyl beta-(bis(beta-hydroxyethyl)sulfonium)ethyl sulfide picrylsulfonateDTXSID50222811Bis(2-hydroxyethyl)-2-(2-chloroethylthio)ethylsulfonium, picrylsulfonateSulfonium, (2-((2-chloroethyl)thio)ethyl)bis(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate (salt)Sulfonium, (2-((2-chloroethyl)thio)ethyl)bis(2-hydroxyethyl)-, salt with 2,4,6-trinitrobenzenesulfonic acid (1:1)RefChem:382608DTXCID80145302Sulfonium, (2-((2-chloroethyl)thio)ethyl)bis(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate (salt) (8CI)Sulfonium, (2-((2-chloroethyl)thio)ethyl)bis(2-hydroxyethyl)-, salt with 2,4,6-trinitrobenzenesulfonic acid (1:1) (9CI)
Show more names
NSC30026NSC-30026Sulfonium, 2,4,6-trinitrobenzenesulfonate (salt)Sulfonium, salt with 2,4,6-trinitrobenzenesulfonic acid (1:1){2-[(2-Chloroethyl)sulfanyl]ethyl}bis(2-hydroxyethyl)sulfanium 2,4,6-trinitrobenzene-1-sulfonate
Properties
Computed structural properties
- Topological polar surface area
- 270 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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