Basic information
- CAS
91981-72-5- Standard SMILES
O=S1(=O)CCC2CCCCN21- InChIKey
UVOXVZYPIOBZRK-UHFFFAOYSA-N- Molecular formula
- C7H13NO2S
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.06669983
Names & identifiers
- Preferred name
- Hexahydro-2h-isothiazolo[2,3-a]pyridine 1,1-dioxide
- IUPAC
- 3,3a,4,5,6,7-hexahydro-2H-[1,2]thiazolo[2,3-a]pyridine 1,1-dioxide
Names & synonyms
91981-72-5hexahydro-2h-isothiazolo[2,3-a]pyridine 1,1-dioxidehexahydro-2H-1lambda6-[1,2]thiazolo[2,3-a]pyridine-1,1-dione3,3a,4,5,6,7-hexahydro-2H-[1,2]thiazolo[2,3-a]pyridine 1,1-dioxideSCHEMBL19863554RDA98172AKOS034100547EN300-1072584hexahydro-2h-isothiazolo[2,3-a]pyridine1,1-dioxideZ1255357771
Database identifiers
- CAS
91981-72-5- PubChem CID
- 102433971
- EC Number
- 142-320-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
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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