Name: Name:5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester
Brand: Angene
SKU: AG002YRN
Rating: 90 (10 reviews)

5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester

CAS No.:

29571-39-9

Catalog Number:

AG002YRN

Molecular Formula:

C8H10N2O3S

Molecular Weight:

214.2416

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Product Description

Catalog Number:

AG002YRN

Chemical Name:

5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-, ethyl ester

CAS Number:

29571-39-9

Molecular Formula:

C8H10N2O3S

Molecular Weight:

214.2416

MDL Number:

MFCD12963809

IUPAC Name:

ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetate

InChI:

InChI=1S/C8H10N2O3S/c1-2-13-6(11)3-5-4-9-8(14)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,14)

InChI Key:

AZQJLAUOZFTBTH-UHFFFAOYSA-N

SMILES:

CCOC(=O)Cc1c[nH]c(=S)[nH]c1=O

NSC Number:

123141

Properties

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.239g/mol

Monoisotopic Mass:

214.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

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

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