Name: Name:Methyl [(4-hydroxypyrimidin-2-yl)thio]acetate
Brand: Angene
SKU: AG008MDD
Rating: 90 (10 reviews)

Methyl [(4-hydroxypyrimidin-2-yl)thio]acetate

CAS No.:

79361-42-5

Catalog Number:

AG008MDD

Molecular Formula:

C7H8N2O3S

Molecular Weight:

200.2150

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Product Description

Catalog Number:

AG008MDD

Chemical Name:

Methyl [(4-hydroxypyrimidin-2-yl)thio]acetate

CAS Number:

79361-42-5

Molecular Formula:

C7H8N2O3S

Molecular Weight:

200.2150

MDL Number:

MFCD00185401

IUPAC Name:

methyl 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate

InChI:

InChI=1S/C7H8N2O3S/c1-12-6(11)4-13-7-8-3-2-5(10)9-7/h2-3H,4H2,1H3,(H,8,9,10)

InChI Key:

DMMZJYXYECJOTJ-UHFFFAOYSA-N

SMILES:

COC(=O)CSc1nccc(=O)[nH]1

Properties

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.212g/mol

Monoisotopic Mass:

200.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

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