Basic information
- CAS
13146-59-3- Standard SMILES
O=S(=O)(O)Oc1ccc2ccccc2c1- InChIKey
HXEZIDSFDHEIIQ-UHFFFAOYSA-N- Molecular formula
- C10H8O4S
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.01432991
Overview
2-naphthyl sulfate is an aryl sulfate that is naphthalene in which the hydrogen at position 2 is replaced by a sulfooxy group. It is a member of naphthalenes and an aryl sulfate. It is functionally related to a 2-naphthol. It is a conjugate acid of a 2-naphthyl sulfate(1-).
Names & identifiers
- Preferred name
- 2-Naphthyl sulfate
- IUPAC
- naphthalen-2-yl hydrogen sulfate
- English name
- 2-naphthyl sulfate
- Molecular formula
- C10H8O4S
- Molecular weight
- 224.23
Names & synonyms
2-Naphthyl sulfate2-Naphthol sulfate13146-59-32-Naphthalenol, hydrogen sulfateL3C36E5XD22-naphthyl hydrogen sulfateCHEBI:167215RefChem:88653naphthalen-2-yl hydrogen sulfatebeta-NAPHTHYL SULFATE1733-89-7UNII-L3C36E5XD2
Show more names
2-Naphthalenol, 2-(hydrogen sulfate)
(naphthalen-2-yl)oxidanesulfonic acid2-naphthylsulphuric acidBETA-NAPHTHOL SULFATE2-naphthalenol hydrogen sulfateSCHEMBL1593352SCHEMBL11550691SCHEMBL29669681DTXSID60927209
Database identifiers
- CAS
13146-59-3- PubChem CID
- 74428
- DTXSID
DTXSID60927209- ChEBI
CHEBI:167215- UNII
- L3C36E5XD2
- Nikkaji
- J440.343F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- pka
- -4.02 · -4.02±0.18(Predicted)
- FDA UNII
- 3 C36E5XD2 · L3C36E5XD2
Chemistry & industry
Additional notes
DefinitionChEBI: 2-naphthyl sulfate is an aryl sulfate that is naphthalene in which the hydrogen at position 2 is replaced by a sulfooxy group. It is an aryl sulfate and a member of naphthalenes. It is functionally related to a 2-naphthol. It is a conjugate acid of a 2-naphthyl sulfate(1-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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