Basic information
- CAS
1016741-18-6- Standard SMILES
COc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1N- InChIKey
ZOQVZECSCJTCAL-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307817
Names & identifiers
- Preferred name
- 3-amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methoxybenzamide
- IUPAC
- 3-amino-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
- English name
- Benzamide, 3-amino-4-methoxy-N-(tetrahydro-1,1-dioxido-3-thienyl)-
- Molecular formula
- C12H16N2O4S
- Molecular weight
- 284.33
Names & synonyms
1016741-18-63-Amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-4-methoxybenzamideRefChem:497557959-534-63-amino-N-(1,1-dioxidotetrahydrothien-3-yl)-4-methoxybenzamide3-amino-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide3-Amino-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methoxybenzamideAKOS000162898AKOS016903047CS-0248314EN300-39609Z285214292
Show more names
3-Amino-n-(1,1-dioxo-1λ6-thiolan-3-yl)-4-methoxybenzamideBenzamide, 3-amino-4-methoxy-N-(tetrahydro-1,1-dioxido-3-thienyl)-
3-Amino-n-(1,1-dioxo-1|E6-thiolan-3-yl)-4-methoxybenzamide
Database identifiers
- CAS
1016741-18-6- PubChem CID
- 20121591
- EC Number
- 959-534-6
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 571.3 · 571.3±50.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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