Structure

1-(3-Methoxyphenyl)-2-thiourea

CAS
37014-08-7
Catalog Number
ACM37014087
Category
Other Products
Molecular Weight
182.24
Molecular Formula
C8H10N2OS

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Specification

Synonyms
5-methoxy phenyl thiourea; 3-METHOXYPHENYLTHIOUREA;
IUPAC Name
(3-methoxyphenyl)thiourea
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
1
H-Bond Donor
2
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]

Downstream Synthesis Route 1

  • 37014-08-7
  • 54346-87-1

Reference: [1] Patent: US2007/232604, 2007, A1, . Location in patent: Page/Page column 40

Downstream Synthesis Route 2

  • 105-39-5
  • 37014-08-7
  • 22476-62-6

Reference: [1]Davis; Dains
[Journal of the American Chemical Society, 1935, vol. 57, p. 2627,2629]

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

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