Basic information
- CAS
67804-53-9- Standard SMILES
Nc1cccc(N2CCCS2(=O)=O)c1- InChIKey
MACVOXCGYYWJRP-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.0619488
Names & identifiers
- Preferred name
- 2-(3-Aminophenyl)-1,2-thiazolidine-1,1-dione
- IUPAC
- 3-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
- English name
- OTAVA-BB BB7020430656
- Molecular formula
- C9H12N2O2S
- Molecular weight
- 212.27
Names & synonyms
67804-53-92-(3-aminophenyl)-1,2-thiazolidine-1,1-dioneRefChem:455100882-618-82-(3-aminophenyl)isothiazolidine 1,1-dioxide3-(1,1-dioxo-1,2-thiazolidin-2-yl)anilineN-(3-Aminophenyl)-1,3-propanesultam2-(3-aminophenyl)-1lambda6,2-thiazolidine-1,1-dioneMFCD08443629OTAVA-BB BB70204306562-(3-aminophenyl)-1??,2-thiazolidine-1,1-dione2-(3-aminophenyl)-1$l^{6},2-thiazolidine-1,1-dione
Show more names
3-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-anilineBenzenamine, 3-(1,1-dioxido-2-isothiazolidinyl)-
SCHEMBL137455313-(1,1-Dioxo-1lambda(6)-isothiazolidin-2-yl)-phenylamine3-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-phenylamineSCA80453SBB016687STK801776AKOS000164201NS-02403
Database identifiers
- CAS
67804-53-9- PubChem CID
- 9079182
- EC Number
- 882-618-8
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 423.4 · 423.4±47.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers4 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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