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Ethyl Thiooxamate

CAT: 0572-TRC-E926850-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E926850-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16982-21-1
Hazard Statement
Causes skin irritation.
Smiles
CCOC(=O)C(=S)N
Molecular Formula
C4 H7 N O2 S
Molecular Weight
133.17
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)
Additionnal Information
IUPAC name: ethyl 2-amino-2-sulfanylideneacetate
Shipping Conditions
Room Temperature

Chemical Information

Ethyl thiooxamate
CAS Number16982-21-1
PubChem CID2733398
IUPAC Nameethyl 2-amino-2-sulfanylideneacetate
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(=O)C(=S)N
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(6)3(5)8/h2H2,1H3,(H2,5,8)
InChIKey
YMBMCMOZIGSBOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl thiooxamate
CAS: 16982-21-1
CID: 2733398
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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