4-(Dichloroacetyl)-thiomorpholine

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Basic information

CAS: 663884-74-0
Standard SMILES: O=C(C(Cl)Cl)N1CCSCC1
InChIKey: RCQNOXUXDOGOHV-UHFFFAOYSA-N
Molecular formula: C6H9Cl2NOS
Average molar mass: 214.11 g/mol
Monoisotopic mass: 212.9781905

Names & identifiers

Preferred name: 4-(Dichloroacetyl)-thiomorpholine
IUPAC: 2,2-dichloro-1-thiomorpholin-4-ylethanone
English name: Thiomorpholine, 4-(dichloroacetyl)- (9CI)
Molecular formula: C6H9Cl2NOS
Molecular weight: 214.11

Names & synonyms

663884-74-04-(DICHLOROACETYL)-THIOMORPHOLINE2,2-Dichloro-1-thiomorpholinoethan-1-one2,2-dichloro-1-thiomorpholin-4-ylethanoneThiomorpholine, 4-(dichloroacetyl)- (9CI)DTXSID10384444CCG-2427072,2-Dichloro-1-(thiomorpholin-4-yl)ethan-1-oneEthanone, 2,2-dichloro-1-(4-thiomorpholinyl)-

Database identifiers

CAS: 663884-74-0
PubChem CID: 2804976
DTXSID: DTXSID10384444

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 45.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 148

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