Ethyl thiooxamate

CAT: 0127-OR10873-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR10873-01Size:5 g

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CAS Number

16982-21-1

Synonyms

Ethyl amino (thioxo) acetate, Amino (thioxo) acetic acid ethyl ester

MDL Number

MFCD00074903

Purity

97%

Smiles

CCOC(=O)C(=S)N

Chemical Information

Ethyl thiooxamate

CAS Number	16982-21-1
PubChem CID	2733398
IUPAC Name	ethyl 2-amino-2-sulfanylideneacetate
Molecular Formula	C4H7NO2S
Molecular Weight	133.17
XLogP	0.4
Topological Polar Surface Area	84.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	113

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

CAS: 16982-21-1

CID: 2733398

Formula: C4H7NO2S

MW: 133.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.17
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	133.01974964
Monoisotopic Mass	133.01974964
Topological Polar Surface Area	84.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	113
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

Catalog	Name
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Catalog	Name
FE07910-01	Ethyl thiooxamate
MBS6052231-01	Ethyl Thiooxamate (Ethyl Aminothioxoacetate)
AAA10633-01	Ethyl Laurate (Ethyl Dodecanoate)
TRC-E937355-2.5G	Ethyl Phthalyl Ethyl Glycolate
RG-A261999-01	Ethyl Ethyl-D-Prolinate
TRC-E917385-5G	Ethyl Laurate(Ethyl Dodecanoate)
105440 2.5	Ethyl Chloroformate (Ethyl Chlorocarbonate)
106-33-2	Ethyl dodecanoate (Ethyl laurate)
FE125194-01	Ethyl N-ethyl-beta-alaninate
SCA43123-01	Ethyl 2-ethyl-2-sulfanylbutanoate