Ethyl 2-thiomorpholinoacetate

CAT: 0127-OR1059012-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059012-01Size:100 mg

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CAS Number

39981-80-1

MDL Number

MFCD03840689

Purity

97%

Smiles

O=C(OCC)CN1CCSCC1

Chemical Information

Ethyl thiomorpholin-4-ylacetate

CAS Number	39981-80-1
PubChem CID	25220823
IUPAC Name	ethyl 2-thiomorpholin-4-ylacetate
Molecular Formula	C8H15NO2S
Molecular Weight	189.28
XLogP	1
Topological Polar Surface Area	54.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	146

SMILES

CCOC(=O)CN1CCSCC1

InChI

InChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3

InChIKey

OIOSZBXAWCXWPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39981-80-1

CID: 25220823

Formula: C8H15NO2S

MW: 189.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.28
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	189.08234989
Monoisotopic Mass	189.08234989
Topological Polar Surface Area	54.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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