Name: Name:1H-Pyrazole-4-carboxylicacid, 5-amino-1-[(ethylamino)thioxomethyl]-, ethyl ester
Brand: Angene
SKU: AG007RZ5
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylicacid, 5-amino-1-[(ethylamino)thioxomethyl]-, ethyl ester

CAS No.:

19375-62-3

Catalog Number:

AG007RZ5

Molecular Formula:

C9H14N4O2S

Molecular Weight:

242.2981

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG007RZ5

Chemical Name:

1H-Pyrazole-4-carboxylicacid, 5-amino-1-[(ethylamino)thioxomethyl]-, ethyl ester

CAS Number:

19375-62-3

Molecular Formula:

C9H14N4O2S

Molecular Weight:

242.2981

MDL Number:

MFCD06655831

IUPAC Name:

ethyl 5-amino-1-(ethylcarbamothioyl)pyrazole-4-carboxylate

InChI:

InChI=1S/C9H14N4O2S/c1-3-11-9(16)13-7(10)6(5-12-13)8(14)15-4-2/h5H,3-4,10H2,1-2H3,(H,11,16)

InChI Key:

PXFQGBKUXITKEN-UHFFFAOYSA-N

SMILES:

CCNC(=S)n1ncc(c1N)C(=O)OCC

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.297g/mol

Monoisotopic Mass:

242.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^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