3-(Phenylsulfanyl)propanoic acid

CAS

5219-65-8

Catalog Number

ACM5219658

Category

Other Products

Molecular Weight

182.24

Molecular Formula

C9H10O2S

MSDS COA Spec Sheet

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Specification

Synonyms

ZINC00082300, ZINC02455568, CID4080397, 5219-65-8

IUPAC Name

3-phenylsulfanylpropanoate

Canonical SMILES

C1=CC=C(C=C1)SCCC(=O)O

InChI Key

IGPROYLOGZTOAM-UHFFFAOYSA-M

Boiling Point

339.3ºC at 760mmHg

Melting Point

53-55ºC

Flash Point

159ºC

Density

1.22g/cm³

Exact Mass

182.04000

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

57-57-8
930-69-8

5219-65-8

Reference: [1]Gresham et al.
[Journal of the American Chemical Society, 1949, vol. 71, p. 661]

Upstream Synthesis Route 2

57-57-8
108-98-5

5219-65-8

Reference: [1]Node, Manabu; Nishide, Kiyoharu; Ochiai, Masahito; Fuji, Kaoru; Fujita, Eiichi
[Journal of Organic Chemistry, 1981, vol. 46, p. 5163 - 5166]
[2]Gresham et al.
[Journal of the American Chemical Society, 1949, vol. 71, p. 661]
Current Patent Assignee: RAYTHEON TECHNOLOGIES CORPORATION; Collins Aerospace (in: Raytheon Technologies) - US2449992, 1945, A
[3]Trost,B.M.; Kunze,R.A.
[Journal of Organic Chemistry, 1974, vol. 39, p. 2648 - 2650]

Upstream Synthesis Route 3

22198-59-0

5219-65-8

Reference: [1]Haynes, Richard K.; Vonwiller, Simone C.; Stokes, John P.; Merlino, Louisa M.
[Australian Journal of Chemistry, 1988, vol. 41, # 6, p. 881 - 895]
[2]Kita; Shibata; Tamura; Miki
[Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 9, p. 2225 - 2232]
[3]Petropoulos et al.
[Journal of the American Chemical Society, 1953, vol. 75, p. 1130,1133]
Challenger; Hollingworth
[Journal of the Chemical Society, 1959, p. 61,66]
[4]Dhiman, Shefali
[Oriental Journal of Chemistry, 2021, vol. 37, # 1, p. 250 - 255]