9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione
Basic information
- CAS
67194-71-2- Standard SMILES
O=C1CC2CCCC(C1)S2(=O)=O- InChIKey
SZYHPFYCBVAWHO-UHFFFAOYSA-N- Molecular formula
- C8H12O3S
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.05071541
Names & identifiers
- Preferred name
- 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione
- IUPAC
- 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-one
Names & synonyms
67194-71-29lambda6-thiabicyclo[3.3.1]nonane-3,9,9-trione9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trioneRefChem:549996995-235-79-Thiabicyclo[3.3.1]nonan-3-one 9,9-dioxide9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-3-oneSZYHPFYCBVAWHO-UHFFFAOYSA-NEN300-7461016
Database identifiers
- CAS
67194-71-2- PubChem CID
- 557461
- EC Number
- 995-235-7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 277
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%)
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Related reactions
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Compound notes
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