Basic information
- CAS
4726-22-1- Standard SMILES
Nc1cc(S(=O)(=O)CCOS(=O)(=O)O)ccc1O- InChIKey
SLLSIPBBZZFAKY-UHFFFAOYSA-N- Molecular formula
- C8H11NO7S2
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 296.99769404
Names & identifiers
- Preferred name
- Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-
- IUPAC
- 2-(3-amino-4-hydroxyphenyl)sulfonylethyl hydrogen sulfate
- English name
- 2-AMINO-4-([2-(SULFOXY)-ETHYL]SULFONYL)-PHENOL
- Molecular formula
- C8H11NO7S2
- Molecular weight
- 297.31
Names & synonyms
phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-Phenol, 2-amino-4-((2-(sulfooxy)ethyl)sulfonyl)-DTXSID0063577RefChem:860828DTXCID50405444726-22-12-(3-amino-4-hydroxyphenyl)sulfonylethyl hydrogen sulfateSCHEMBL5673668SLLSIPBBZZFAKY-UHFFFAOYSA-NAKOS015961242AC-130782-(3-Amino-4-hydroxybenzene-1-sulfonyl)ethyl hydrogen sulfate
Show more names
2-amino-4-((2-(sulfooxy)ethyl)sulfonyl)phenol2-AMINO-4-([2-(SULFOXY)-ETHYL]SULFONYL)-PHENOL2-[(3-AMINO-4-HYDROXY) PHENYLSULFONYL] SULFATE ETHYL ESTER2-(3-azanyl-4-hydroxy-phenyl)sulfonylethyl hydrogen sulfatesulfuric acid 2-(3-amino-4-hydroxy-phenyl)sulfonylethyl ester
Database identifiers
- CAS
4726-22-1- PubChem CID
- 78455
- DTXSID
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Density
- 1.715 · 1.715±0.06 g/cm3(Predicted)
- pka
- -3.9 · -3.90±0.18(Predicted)
- EPA Substance Registry System
- 2 · Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]- (4726-22-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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