Basic information
- CAS
119639-24-6- Standard SMILES
CC(C)(C)N1C(=O)C=CS1(=O)=O- InChIKey
ACMFJQJWCFZWEU-UHFFFAOYSA-N- Molecular formula
- C7H11NO3S
- Average molar mass
- 189.23 g/mol
Names & identifiers
- Preferred name
- 2-Tert-butyl-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trione
- IUPAC
- 2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one
- English name
- 3(2H)-Isothiazolone, 2-(1,1-dimethylethyl)-, 1,1-dioxide
- Molecular formula
- C7H11NO3S
- Molecular weight
- 189.23
Names & synonyms
119639-24-62-tert-Butyl-2,3-dihydro-1lambda6,2-thiazole-1,1,3-trioneRefChem:483612855-511-92-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide3(2H)-Isothiazolone, 2-(1,1-dimethylethyl)-, 1,1-dioxideMFCD283634352-tert-butyl-1,1-dioxo-1,2-thiazol-3-one2-(tert-Butyl)isothiazol-3(2H)-one1,1-dioxideBS-50702F762702-tert-butylisothiazol-3(2H)-one 1,1-dioxide
Show more names
SCHEMBL5892925UEA63924EN300-6482013F8643672-tert-butyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-one2-?(1,?1-?Dimethylethyl)?-3(2H)?-?isothiazolone 1,?1-?dioxide
Database identifiers
- CAS
119639-24-6- PubChem CID
- 11116816
- EC Number
- 855-511-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 285 · 285.0±23.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- -16.36 · -16.36±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
8 records
Compound notes
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