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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)-

S-[2-[6-[[4-[3-(dimethylamino)propoxy]phenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate

CN(CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(=O)C)C Request for Quotation
Chemical Name: S-[2-[6-[[4-[3-(dimethylamino)propoxy]phenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate
CAS Number: 940943-37-3
Product Number: AG00352M(AGN-PC-01LTZJ)
Synonyms:
MDL No:
Molecular Formula: C20H25N3O5S2
Molecular Weight: 451.5596

Identification/Properties

Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
451.556g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
12
Exact Mass:
451.124g/mol
Monoisotopic Mass:
451.124g/mol
Topological Polar Surface Area:
139A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
658
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethanethioic acid, S-[2-[6-[[[4-[3-(dimethylamino)propoxy]phenyl]sulfonyl]amino]-3-pyridinyl]-2-oxoethyl] ester is a versatile compound commonly used in chemical synthesis processes. Its application in organic synthesis lies in its ability to serve as a key building block for the creation of complex molecules. This compound plays a crucial role in the development of new pharmaceuticals, agrochemicals, and materials. Through strategic manipulation of its molecular structure, chemists can introduce specific functional groups and stereochemistry, enabling the synthesis of a wide range of target molecules with diverse properties and applications.Furthermore, Ethanethioic acid, S-[2-[6-[[[4-[3-(dimethylamino)propoxy]phenyl]sulfonyl]amino]-3-pyridinyl]-2-oxoethyl] ester is valued for its capacity to participate in various chemical reactions, such as condensation, reduction, and substitution reactions. This compound serves as a valuable tool for chemists seeking to access novel compounds with desirable properties through controlled and efficient synthetic routes.