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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)-

4H-1-Benzothiopyran-4-one, 6-chloro-2,3-dihydro-

Clc1ccc2c(c1)C(=O)CCS2 Request for Quotation
Chemical Name: 4H-1-Benzothiopyran-4-one, 6-chloro-2,3-dihydro-
CAS Number: 13735-12-1
Product Number: AG003N72(AGN-PC-0JOKBZ)
Synonyms:
MDL No:
Molecular Formula: C9H7ClOS
Molecular Weight: 198.6693

Identification/Properties

Properties
MP:
67-71 °C(lit.)
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
198.664g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
197.991g/mol
Monoisotopic Mass:
197.991g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
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:
H317
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-Chlorothiochroman-4-one is a versatile compound widely utilized in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its unique chemical properties make it a valuable intermediate in organic synthesis processes, particularly in the development of novel drug candidates and bioactive molecules. By serving as a crucial starting material, 6-Chlorothiochroman-4-one enables the efficient construction of complex molecular structures with specific functional groups, enhancing the diversity and efficiency of synthetic pathways. Its applications in chemical synthesis highlight its significance as a fundamental component in the creation of innovative compounds with potential therapeutic, agricultural, and industrial applications.