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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Acetic acid, (2-pyrimidinylthio)-

OC(=O)CSc1ncccn1 Request for Quotation
Chemical Name: Acetic acid, (2-pyrimidinylthio)-
CAS Number: 88768-45-0
Product Number: AG003BNY(AGN-PC-0JT8U3)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O2S
Molecular Weight: 170.1890

Identification/Properties

Computed Properties
Molecular Weight:
170.186g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
170.015g/mol
Monoisotopic Mass:
170.015g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
137
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(Pyrimidin-2-ylthio)acetic acid is a versatile compound widely used in chemical synthesis. It serves as a key building block in various organic reactions, particularly in the formation of heterocyclic compounds. Due to its unique structure and reactivity, this compound plays a crucial role in the creation of pharmaceuticals, agrochemicals, and other specialty chemicals. Additionally, its thioether functionality imparts valuable properties to the target molecules, enhancing their biological activities and overall performance. When employed in synthetic routes, 2-(Pyrimidin-2-ylthio)acetic acid enables chemists to efficiently access complex molecular architectures with tailored properties, making it a valuable tool in modern organic synthesis.