Basic information
- CAS
1903872-85-4- Standard SMILES
O=C1CC2CS(=O)(=O)CC2N1- InChIKey
NNWORFCIWXFPGX-UHFFFAOYSA-N- Molecular formula
- C6H9NO3S
- Average molar mass
- 175.21 g/mol
- Monoisotopic mass
- 175.03031432
Names & identifiers
- Preferred name
- rac-(3aR,6aS)-hexahydro-1H-5lambda6-thieno(3,4-b)pyrrole-2,5,5-trione
- IUPAC
- 5,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one
Names & synonyms
1903872-85-4RefChem:873795990-299-2rac-(3aR,6aS)-hexahydro-1H-5lambda6-thieno(3,4-b)pyrrole-2,5,5-trionerac-(3aR,6aS)-hexahydro-1H-5lambda6-thieno[3,4-b]pyrrole-2,5,5-trione95613-56-2Hexahydro-1H-5lambda6-thieno[3,4-b]pyrrole-2,5,5-trionetetrahydro-1h-thieno[3,4-b]pyrrol-2(3h)-one 5,5-dioxideDBD87285EN300-1663268AE-848/332100192-oxo-3a,4,6,6a-tetrahydro-3h-thieno[4,3-d]pyrrole 5,5-dioxide
Show more names
rac-(3aR,6aS)-Hexahydro-1H-5?6-thieno[3,4-b]pyrrole-2,5,5-trione
Database identifiers
- CAS
1903872-85-4- PubChem CID
- 13356232
- EC Number
- 990-299-2
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 289
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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