3-Thiazolidineethanesulfonic acid
Basic information
- CAS
5718-90-1- Standard SMILES
O=S(=O)(O)CCN1CCSC1- InChIKey
BEBVCXRNDYZFHX-UHFFFAOYSA-N- Molecular formula
- C5H11NO3S2
- Average molar mass
- 197.3 g/mol
- Monoisotopic mass
- 197.01803556
Names & identifiers
- Preferred name
- 3-Thiazolidineethanesulfonic acid
- IUPAC
- 2-(1,3-thiazolidin-3-yl)ethanesulfonic acid
- English name
- 3-Thiazolidine-1-ethanesulfonic acid
- Molecular formula
- C5H11NO3S2
- Molecular weight
- 197.28
Names & synonyms
3-Thiazolidineethanesulfonic acid5718-90-1DTXSID6063987RefChem:95467DTXCID40421792-(1,3-thiazolidin-3-yl)ethane-1-sulfonic acidSCHEMBL7527370BEBVCXRNDYZFHX-UHFFFAOYSA-N3-Thiazolidine-1-ethanesulfonic acid
Database identifiers
- CAS
5718-90-1- PubChem CID
- 79794
- DTXSID
DTXSID6063987- Nikkaji
- J421.781K
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Thiazolidineethanesulfonic acid (5718-90-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Thiazolidineethanesulfonic acid: INACTIVE
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Compound notes
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