Name: Name:3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid
Brand: Angene
SKU: AG01A0O2
Rating: 90 (10 reviews)

3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid

CAS No.:

79888-40-7

Catalog Number:

AG01A0O2

Molecular Formula:

C8H11N3O3S

Molecular Weight:

229.2562

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Product Description

Catalog Number:

AG01A0O2

Chemical Name:

3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid

CAS Number:

79888-40-7

Molecular Formula:

C8H11N3O3S

Molecular Weight:

229.2562

MDL Number:

MFCD00206995

IUPAC Name:

4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid

InChI:

InChI=1S/C8H11N3O3S/c1-2-6-10-11-8(15-6)9-5(12)3-4-7(13)14/h2-4H2,1H3,(H,13,14)(H,9,11,12)

InChI Key:

MLENLHLMPOXBTF-UHFFFAOYSA-N

SMILES:

CCc1nnc(s1)NC(=O)CCC(=O)O

Properties

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.254g/mol

Monoisotopic Mass:

229.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501