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4- (Oxane-4-carbonyl) thiomorpholine

CAT: 0926-IAC73200-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-IAC73200-01Size:100 mg
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CAS Number
1258732-00-1
MDL Number
MFCD29906955
Smiles
C1COCCC1C (=O) N2CCSCC2
Molecular Formula
C10H17NO2S
Molecular Weight
215.31 g/mol
Controlled
No

Chemical Information

4-(Oxane-4-carbonyl)thiomorpholine
CAS Number1258732-00-1
PubChem CID51083024
IUPAC Nameoxan-4-yl(thiomorpholin-4-yl)methanone
Molecular FormulaC10H17NO2S
Molecular Weight215.31
XLogP0.5
Topological Polar Surface Area54.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
C1COCCC1C(=O)N2CCSCC2
InChI
InChI=1S/C10H17NO2S/c12-10(9-1-5-13-6-2-9)11-3-7-14-8-4-11/h9H,1-8H2
InChIKey
TXTCRBUQORWZGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Oxane-4-carbonyl)thiomorpholine
CAS: 1258732-00-1
CID: 51083024
Formula: C10H17NO2S
MW: 215.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight215.31
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass215.09799996
Monoisotopic Mass215.09799996
Topological Polar Surface Area54.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity198
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