CAS 75028-24-9

1 2D Structure

CAS 75028-24-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetic acid

2.1.2 InChI

InChI=1S/C6H8N4O3S/c1-2-13-9-3(5(11)12)4-8-6(7)14-10-4/h2H2,1H3,(H,11,12)(H2,7,8,10)/b9-3+

2.1.3 InChI Key

UFTDZEXQFNFPFR-YCRREMRBSA-N

2.1.4 Canonical SMILES

CCON=C(C1=NSC(=N1)N)C(=O)O

2.1.5 Isomeric SMILES

CCO/N=C(\C1=NSC(=N1)N)/C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (e)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetic Acid

2. 91815-15-5

3. 2-ethylbutyricanhydride

4. Schembl3833502

5. Bcp08973

6. Zinc38586996

7. 2-(5-amino-1,2,4-thiadiazole-3-yl)-2-(ethoxyimino)acetic Acid

8. 2-(5-amino-l,2,4-thiadiazol-3-yl)-(z)-2-ethoxyiminoacetic Acid

9. (z)-2-(5-amino-1,2,4-thiadiazole-3-yl)-2-(ethoxyimino)acetic Acid

2.3 Create Date

2014-03-07

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₄O₃S
Molecular Weight	216.22 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	216.03171130 g/mol
Monoisotopic Mass	216.03171130 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	247
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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