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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)-

Benzoic acid, 4-(methylthio)-, methyl ester

COC(=O)c1ccc(cc1)SC Request for Quotation
Chemical Name: Benzoic acid, 4-(methylthio)-, methyl ester
CAS Number: 3795-79-7
Product Number: AG003RTY(AGN-PC-0JLOB3)
Synonyms:
MDL No:
Molecular Formula: C9H10O2S
Molecular Weight: 182.2395

Identification/Properties

Properties
MP:
79-81 °C
BP:
279.1 °C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
182.237g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
182.04g/mol
Monoisotopic Mass:
182.04g/mol
Topological Polar Surface Area:
51.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
151
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 4-(methylthio)benzoate, also known as MMBA, plays a crucial role in chemical synthesis as a versatile building block. It is commonly employed as a key intermediate in the production of various pharmaceuticals, agrochemicals, and fine chemicals. With its unique chemical structure, MMBA serves as a valuable precursor in the creation of complex organic molecules through a series of synthetic reactions. Its functionality allows for selective modifications which enable chemists to control the properties and reactivity of the end products. The incorporation of Methyl 4-(methylthio)benzoate in chemical synthesis brings about strategic advantages, facilitating the creation of novel compounds with important applications across diverse fields of science and industry.