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2-Ethoxy-2-thioxoAcetamide

CAT: 0127-OR1004158-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1004158-02Size:250 mg
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CAS Number
928716-12-5
MDL Number
MFCD12963823
Purity
90%
Smiles
O=C(N)C(=S)OCC

Chemical Information

2-ethoxy-2-thioxoAcetamide
CAS Number928716-12-5
PubChem CID21613763
IUPAC NameO-ethyl 2-amino-2-oxoethanethioate
Molecular FormulaC4H7NO2S
Molecular Weight133.17
XLogP0.4
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity113
SMILES
CCOC(=S)C(=O)N
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(8)3(5)6/h2H2,1H3,(H2,5,6)
InChIKey
ZEJPMRKECMRICL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-ethoxy-2-thioxoAcetamide
CAS: 928716-12-5
CID: 21613763
Formula: C4H7NO2S
MW: 133.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.17
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass133.01974964
Monoisotopic Mass133.01974964
Topological Polar Surface Area84.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity113
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
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JH2305812-[2-[2-[2-[2-[2-[2- (2-methoxyethoxy) ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
JH2305771-methoxy-2-[2-[2-[2-[2-[2-[2- (2-methoxyethoxy) ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
JH3235282-[2-[2-[2- (2-methoxyethoxy) ethoxy]ethoxy]ethoxy]ethanethiol
YXB08003-013-[2-[2-[2-[2-[2- (2-Azidoethoxy) ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
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JH9198522-[2- (2-{2-[2- (tert-Butyl-dimethyl-silanyloxy) -ethoxy]-ethoxy}-ethoxy) -ethoxy]-ethanol
sc-498211Tert-butyl 3- (2- (2- (2- (2- (methylamino) ethoxy) ethoxy) ethoxy) ethoxy) propanoate

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