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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)-

Propanoic acid, 2-[(phenylmethyl)thio]-

CC(C(=O)O)SCc1ccccc1 Request for Quotation
Chemical Name: Propanoic acid, 2-[(phenylmethyl)thio]-
CAS Number: 6182-85-0
Product Number: AG00IAX9(AGN-PC-0JO2RA)
Synonyms:
MDL No:
Molecular Formula: C10H12O2S
Molecular Weight: 196.26608

Identification/Properties

Properties
BP:
329.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
196.264g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
196.056g/mol
Monoisotopic Mass:
196.056g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-(Benzylthio)propanoic acid, also known as BTSPA, is a versatile compound commonly used in chemical synthesis. This particular compound plays a crucial role as a building block in organic chemistry due to its unique chemical properties. One of its key applications lies in the synthesis of various pharmaceuticals and agrochemicals. Additionally, 2-(Benzylthio)propanoic acid is frequently employed as a starting material for the preparation of advanced materials and specialty chemicals. Its ability to undergo various reactions, such as esterification, oxidation, and decarboxylation, makes it an indispensable component in the creation of complex molecular structures. The presence of the benzylthio group enables precise modifications in the structure of target compounds, leading to the development of innovative substances with enhanced properties for diverse industrial applications. This compound serves as a valuable tool for chemists and researchers seeking to design and produce novel molecules with tailored functionalities for specific purposes.