1-(3-Methoxyphenyl)-2-thiourea

CAS

37014-08-7

Catalog Number

ACM37014087

Category

Other Products

Molecular Weight

182.24

Molecular Formula

C₈H₁₀N₂OS

MSDS COA Spec Sheet

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Specification

Synonyms

5-methoxy phenyl thiourea; 3-METHOXYPHENYLTHIOUREA;

IUPAC Name

(3-methoxyphenyl)thiourea

Canonical SMILES

COC1=CC=CC(=C1)NC(=S)N

InChI Key

YGMXDSWMRIXNTI-UHFFFAOYSA-N

Boiling Point

306.3ºC at 760mmHg

Melting Point

160ºC

Flash Point

139ºC

Density

1.287g/cm³

Exact Mass

182.05100

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36/37/39

Upstream Synthesis Route 1

333-20-0
536-90-3

37014-08-7

Reference: [1]de Beer et al.
[Journal of Pharmacology and Experimental Therapeutics, 1936, vol. 57, p. 19,22]

Upstream Synthesis Route 2

3125-64-2

37014-08-7

Reference: [1]Goodyer, Claire L. M.; Chinje, Edwin C.; Jaffar, Mohammed; Stratford, Ian J.; Threadgill, Michael D.
[Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 19, p. 4189 - 4206]
[2]Dyson; George; Hunter
[Journal of the Chemical Society, 1927, p. 440]
[3]Wilson, Kenneth J.; Illig, Carl R.; Subasinghe, Nalin; Hoffman, James B.; Jonathan Rudolph; Soll, Richard; Molloy, Christopher J.; Bone, Roger; Green, David; Randall, Troy; Zhang, Marie; Lewandowski, Frank A.; Zhou, Zhao; Sharp, Celia; Maguire, Diane; Grasberger, Bruce; DesJarlais, Renee L.; Spurlino, John
[Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 7, p. 915 - 918]
[4]Location in patent: scheme or table
Nitta, Aiko; Fujii, Hideaki; Sakami, Satoshi; Nishimura, Yutaka; Ohyama, Tomofumi; Satoh, Mikiya; Nakaki, Junko; Satoh, Shiho; Inada, Chifumi; Kozono, Hideki; Kumagai, Hiroki; Shimamura, Masahiro; Fukazawa, Tominaga; Kawai, Hideki
[Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 20, p. 5435 - 5438]