Basic information
- CAS
202805-22-9- Standard SMILES
O=C(O)CNS(=O)(=O)/C=C/c1ccccc1- InChIKey
BENSSPRDYYRKBA-UHFFFAOYSA-N- Molecular formula
- C10H11NO4S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.04087901
Names & identifiers
- Preferred name
- 2-(2-Phenylethenesulfonamido)acetic acid
- IUPAC
- 2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acid
- English name
- (E)-(styrylsulfonyl)glycine
- Molecular formula
- C10H11NO4S
- Molecular weight
- 241.26
Names & synonyms
202805-22-92-(2-phenylethenesulfonamido)acetic acidRefChem:454388883-029-9(2-Phenyl-ethenesulfonylamino)-acetic acid(Styrylsulfonyl)glycine2-[[(E)-2-phenylethenyl]sulfonylamino]acetic acidF0303-0001(E)-2-(2-phenylvinylsulfonamido)acetic acidOprea1_051513MLS000775596SCHEMBL7827248
Show more names
(E)-(styrylsulfonyl)glycineGlycine, N-[(2-phenylethenyl)sulfonyl]-{[(2-phenylvinyl)sulfonyl]amino}acetic acid
CHEMBL1721049BENSSPRDYYRKBA-VOTSOKGWSA-NHMS1414D10HMS2650K08SMSSF-0042814N-[(2-Phenylvinyl)sulfonyl]glycineAKOS001060087NCGC00665719-01
Database identifiers
- CAS
202805-22-9- PubChem CID
- 723005
- ChEMBL
CHEMBL1721049- EC Number
- 883-029-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 463.5 · 463.5±55.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 3.51 · 3.51±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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