Name: Name:1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic a
Brand: Angene
SKU: AG00FD5F
Rating: 90 (10 reviews)

1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic a

CAS No.:

732291-88-2

Catalog Number:

AG00FD5F

Molecular Formula:

C9H12N2O5S

Molecular Weight:

260.2670

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Product Description

Catalog Number:

AG00FD5F

Chemical Name:

1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic a

CAS Number:

732291-88-2

Molecular Formula:

C9H12N2O5S

Molecular Weight:

260.2670

MDL Number:

MFCD04633433

IUPAC Name:

1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

InChI:

InChI=1S/C9H12N2O5S/c12-8-2-1-7(9(13)14)10-11(8)6-3-4-17(15,16)5-6/h6H,1-5H2,(H,13,14)

InChI Key:

MFBQOHXMMCTIFD-UHFFFAOYSA-N

SMILES:

O=C1CCC(=NN1C1CCS(=O)(=O)C1)C(=O)O

Properties

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.264g/mol

Monoisotopic Mass:

260.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties