Basic information
- CAS
51865-21-5- Standard SMILES
O=C(O)CSC(SCC(=O)O)c1ccccc1C(SCC(=O)O)SCC(=O)O- InChIKey
VGQNYXDTZUDPEI-UHFFFAOYSA-N- Molecular formula
- C16H18O8S4
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 465.98845222
Overview
mercury chelating agent; structure
Names & identifiers
- Preferred name
- Phthalyltetrathioacetic acid
- IUPAC
- 2-[[2-[bis(carboxymethylsulfanyl)methyl]phenyl]-(carboxymethylsulfanyl)methyl]sulfanylacetic acid
Names & synonyms
Phthalyltetrathioacetic acid51865-21-5DTXSID00199827RefChem:174005DTXCID60122318PTTABRN 2030067(o-Phenylenebis(methylidynedithio))tetraacetic acidAcetic acid, 2,2',2'',2'''-(1,2-phenylenebis(methylidynebis(thio))tetrakis-2-[[2-[bis(carboxymethylsulfanyl)methyl]phenyl]-(carboxymethylsulfanyl)methyl]sulfanylacetic acidSCHEMBL29369594ACETIC ACID, (o-PHENYLENEBIS(METHYLIDYNEDITHIO))TETRA-
Show more names
2,2',2'',2'''-{1,2-Phenylenebis[methanetriylbis(sulfanediyl)]}tetraacetic acid
Database identifiers
- CAS
51865-21-5- PubChem CID
- 40153
- DTXSID
DTXSID00199827- Nikkaji
- J1.995.555I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 250 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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