2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one
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Basic information
- CAS
84012-54-4- Standard SMILES
O=c1c2ccccc2sn1CN1CCOCC1- InChIKey
BYDCJQINJGGKLU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one
- IUPAC
- 2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one
- English name
- 2-(4-morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one
- Molecular formula
- C12H14N2O2S
- Molecular weight
- 250.31676
Names & synonyms
2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one84012-54-4UNII-7HYR10SN3W7HYR10SN3WEINECS 281-694-41,2-Benzisothiazol-3(2H)-one, 2-(4-morpholinylmethyl)-RefChem:84479281-694-4SCHEMBL10833057BYDCJQINJGGKLU-UHFFFAOYSA-NDTXSID501004292NS00059936
Show more names
2-morpholinomethyl1,2-benzisothiazol-3(2h)-oneQ272683202-[(Morpholin-4-yl)methyl]-1,2-benzothiazol-3(2H)-one
Database identifiers
- CAS
84012-54-4- PubChem CID
- 7479999
- DTXSID
DTXSID501004292- UNII
- 7HYR10SN3W
- EC Number
- 281-694-4
- Nikkaji
- J332.950J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- FDA UNII
- 7 HYR10SN3W · 7HYR10SN3W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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