Basic information
- CAS
1191908-73-2- Standard SMILES
Cl.NC1CCS(=O)(=O)c2ccc(F)cc21- InChIKey
HVJSNNFBPCOLLH-UHFFFAOYSA-N- Molecular formula
- C9H11ClFNO2S
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0183056
Names & identifiers
- Preferred name
- 6-fluoro-3,4-dihydro-2H-thiochromen-4-amine 1,1-dioxide hydrochloride
- IUPAC
- 6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
Names & synonyms
1191908-73-26-Fluoro-3,4-dihydro-2H-thiochromen-4-amine 1,1-dioxide hydrochlorideRefChem:543158831-483-36-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride4-Amino-6-fluorothiochroman 1,1-dioxide hydrochloride4-amino-6-fluoro-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione hydrochlorideSCHEMBL1004820RXB90873MFCD317195714-amino-6-fluoro-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dionehydrochlorideSY573558
Show more names
EN300-6729739
Database identifiers
- CAS
1191908-73-2- PubChem CID
- 66873751
- EC Number
- 831-483-3
Properties
Computed structural properties
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
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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