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4- (4-Chlorophenyl) thiomorpholine 1,1-dioxide

CAT: 0127-OR1062794-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1062794-01Size:250 mg
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CAS Number
82222-74-0
MDL Number
MFCD07366283
Purity
98%
Smiles
O=S1(CCN(C2=CC=C(Cl)C=C2)CC1)=O

Chemical Information

4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide
CAS Number82222-74-0
PubChem CID12932466
IUPAC Name4-(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73
XLogP1.8
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity290
SMILES
C1CS(=O)(=O)CCN1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNO2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8H2
InChIKey
IQIXFXLKPNFQGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)thiomorpholine 1,1-Dioxide
CAS: 82222-74-0
CID: 12932466
Formula: C10H12ClNO2S
MW: 245.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.73
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass245.0277275
Monoisotopic Mass245.0277275
Topological Polar Surface Area45.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-4861524- (4-Chlorophenyl) thiomorpholine 1,1-Dioxide
sc-3361354- (Bromoacetyl),1,1-dioxide thiomorpholine
FEA297104- (4-Aminophenyl) thiomorpholine 1,1-Dioxide
sc-4883724- (4-Hydroxyphenyl) thiomorpholine 1,1-Dioxide
sc-4866764- (4-Bromophenyl) thiomorpholine 1,1-Dioxide
sc-4865024- (4-Hydroxybutyl) thiomorpholine 1,1-Dioxide
sc-4865004- (2-Hydroxyethyl) thiomorpholine 1,1-Dioxide
FCA16066-014- (2-Chloroethyl) thiomorpholine 1,1-dioxide
PDA93752-014- (2-Aminoethyl) thiomorpholine 1,1-Dioxide
RG-A261720-01Thiomorpholine-4-Carbonyl Chloride 1,1-Dioxide

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