Name: Name:Butanoic acid, 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-
Brand: Angene
SKU: AG008KX8
Rating: 90 (10 reviews)

Butanoic acid, 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-

CAS No.:

79888-39-4

Catalog Number:

AG008KX8

Molecular Formula:

C7H9N3O3S

Molecular Weight:

215.2297

Catalog Number:

AG008KX8

Chemical Name:

Butanoic acid, 4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-

CAS Number:

79888-39-4

Molecular Formula:

C7H9N3O3S

Molecular Weight:

215.2297

MDL Number:

MFCD00806654

IUPAC Name:

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

InChI:

InChI=1S/C7H9N3O3S/c1-4-9-10-7(14-4)8-5(11)2-3-6(12)13/h2-3H2,1H3,(H,12,13)(H,8,10,11)

InChI Key:

MXAUBMXFKXGLOV-UHFFFAOYSA-N

SMILES:

Cc1nnc(s1)NC(=O)CCC(=O)O

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.227g/mol

Monoisotopic Mass:

215.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3