Thiourea,N-(5-chloro-2-methoxyphenyl)-

CAS

63980-69-8

Catalog Number

ACM63980698

Category

Other Products

Molecular Weight

216.69

Molecular Formula

C8H9 Cl N2 O S

MSDS COA Spec Sheet

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Specification

Synonyms

Maybridge1_007226, NSC25002, BRN 2840488, STK374497, ZINC06018501, 1-(5-chloro-2-methoxyphenyl)thiourea, 1-(5-Chloro-2-methoxyphenyl)-2-thiourea, BBV-213165, CID2732660, Thiourea, (5-chloro-2-methoxyphenyl)-, Urea, 1-(5-chloro-2-methoxyphenyl)-2-thio-, LS-159533, 3-13-00-00847 (Beilstein Handbook Reference), 63980-69-8

IUPAC Name

(5-chloro-2-methoxyphenyl)thiourea

Canonical SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N

InChI Key

SEMNHAXMORNHNR-UHFFFAOYSA-N

Boiling Point

334.6ºC at 760 mmHg

Melting Point

145-149ºC

Flash Point

156.2ºC

Density

1.411 g/cm³

Exact Mass

216.01200

H-Bond Acceptor

H-Bond Donor

Safety Description

22-36/37

Upstream Synthesis Route 1

63429-99-2

63980-69-8

Reference: [1]Browne; Dyson
[Journal of the Chemical Society, 1931, p. 3285,3299]
[2]Yoo, Choong Leol; Yu, Gui Jun; Yang, Baoxue; Robins, Lori I.; Verkman; Kurth, Mark J.
[Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 8, p. 2610 - 2614]

Upstream Synthesis Route 2

1147550-11-5
95-03-4

83551-40-0
63980-69-8

Reference: [1]Erlenmeyer; Ueberwasser
[Helvetica Chimica Acta, 1942, vol. 25, p. 515,519]

Downstream Synthesis Route 1

63980-69-8

67618-12-6

Reference: [1]Lakhan, Ram; Ral, Babban J.
[Journal of Chemical and Engineering Data, 1986, vol. 31, # 4, p. 501 - 502]
[2]Erlenmeyer; Ueberwasser
[Helvetica Chimica Acta, 1942, vol. 25, p. 515,519]
[3]Current Patent Assignee: LIGAND PHARMACEUTICALS INC - US6756360, 2004, B1
Location in patent: Page column 180

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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