Benzo(c)thiophen-1(3H)-one, 3-(4-morpholinylmethyl)-, hydrochloride
Basic information
- CAS
97874-35-6- Standard SMILES
Cl.O=C1SC(CN2CCOCC2)c2ccccc21- InChIKey
MFGJIRFNFQZGPY-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO2S
- Average molar mass
- 285.79 g/mol
- Monoisotopic mass
- 285.0590276
Names & identifiers
- Preferred name
- Benzo(c)thiophen-1(3H)-one, 3-(4-morpholinylmethyl)-, hydrochloride
- IUPAC
- 3-(morpholin-4-ylmethyl)-3H-2-benzothiophen-1-one;hydrochloride
- English name
- 9-(morpholin-4-ylmethyl)-8-thiabicyclo[4.3.0]nona-1,3,5-trien-7-one hydrochloride
- Molecular formula
- C13H16ClNO2S
- Molecular weight
- 285.79
Names & synonyms
3-(4-Morpholinylmethyl)benzo(c)thiophen-1(3H)-one hydrochloride97874-35-6Benzo(c)thiophen-1(3H)-one, 3-(4-morpholinylmethyl)-, hydrochlorideRefChem:326318DTXSID809135833-[(Morpholin-4-yl)methyl]-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1)3-(morpholin-4-ylmethyl)-3H-2-benzothiophen-1-one9-(morpholin-4-ylmethyl)-8-thiabicyclo[4.3.0]nona-1,3,5-trien-7-one hydrochloride
Database identifiers
- CAS
97874-35-6- PubChem CID
- 3062385
- DTXSID
DTXSID80913583
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
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Compound notes
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