Basic information
- CAS
6291-88-9- Standard SMILES
O=C(O)CCS(=O)(=O)CCC(=O)O- InChIKey
FBFBNGJZFXSFFY-UHFFFAOYSA-N- Molecular formula
- C6H10O6S
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.01980904
Names & identifiers
- Preferred name
- 3,3'-Sulfonylbis(propanoic acid)
- IUPAC
- 3-(2-carboxyethylsulfonyl)propanoic acid
- English name
- 3,3'-sulphonyldipropionic acid
- Molecular formula
- C6H10O6S
- Molecular weight
- 210.205
Names & synonyms
6291-88-9Propionic acid, 3,3'-sulfonyldi-DTXSID60212102RefChem:1065558DTXCID201345933,3'-Sulfonylbis(propanoic acid)228-546-73,3'-sulfonyldipropanoic acid3,3'-Sulfonyldipropionic acid3-(2-carboxyethylsulfonyl)propanoic acid3,3'-Sulphonyldipropionic acidPropanoic acid, 3,3'-sulfonylbis-
Show more names
3-(2-Carboxy-ethanesulfonyl)-propionic acid
NSC 8167EINECS 228-546-7BRN 17891923-(2-CARBOXYETHANESULFONYL)PROPANOIC ACIDsulfonyldipropionic acid4-03-00-00735 (Beilstein Handbook Reference)CHEMBL498855SCHEMBL4413341
Database identifiers
- CAS
6291-88-9- PubChem CID
- 80512
- DTXSID
DTXSID60212102- ChEMBL
CHEMBL498855- EC Number
- 228-546-7
- Nikkaji
- J32.967C
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Suppliers1 total
凯方医药科技有限公司—
Related reactions
2 records
Compound notes
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