5-Amino-2-(4-Methoxybenzyl)-2,3-Dihydrobenzo(D)Isothiazole 1,1-Dioxide
Basic information
- CAS
1383788-38-2- Standard SMILES
COc1ccc(CN2Cc3cc(N)ccc3S2(=O)=O)cc1- InChIKey
UVUMISWQMCCSHV-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.08816355
Names & identifiers
- Preferred name
- 5-Amino-2-(4-Methoxybenzyl)-2,3-Dihydrobenzo(D)Isothiazole 1,1-Dioxide
- IUPAC
- 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-5-amine
Names & synonyms
5-Amino-2-(4-methoxybenzyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide1,2-Benzisothiazol-5-amine, 2,3-dihydro-2-[(4-methoxyphenyl)methyl]-, 1,1-dioxide5-Amino-2-(4-Methoxybenzyl)-2,3-Dihydrobenzo(D)Isothiazole 1,1-Dioxide1,2-Benzisothiazol-5-amine, 2,3-dihydro-2-((4-methoxyphenyl)methyl)-, 1,1-dioxideRefChem:532110107-005-81383788-38-22-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-5-aminestarbld0021819DTXSID7011329065-amino-2-(4-methoxybenzyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide, AldrichCPR5-Amino-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Database identifiers
- CAS
1383788-38-2- PubChem CID
- 97046706
- DTXSID
DTXSID701132906- EC Number
- 107-005-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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