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Sigma-Aldrich

4-Methoxyphenyl isothiocyanate

98%

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About This Item

Linear Formula:
CH3OC6H4NCS
CAS Number:
2284-20-0
Molecular Weight:
165.21
Beilstein/REAXYS Number:
606967
EC Number:
218-921-3
MDL number:
MFCD00011676
UNSPSC Code:
12352100
PubChem Substance ID:
24854857
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.653 (lit.)

bp

280-281 °C (lit.)

mp

18 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

SMILES string

COc1ccc(cc1)N=C=S

InChI

1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3

InChI key

VRPQCVLBOZOYCG-UHFFFAOYSA-N

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Application

4-Methoxyphenyl isothiocyanate has been used in the synthesis of:
  • 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one
  • 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Veerachamy Alagarsamy et al.
Bioorganic & medicinal chemistry, 15(10), 3457-3462 (2007-03-30)
A series of 3-benzyl-2-substituted-3H-[1,2,4]triazolo[5,1-b]quinazolin-9-ones have been synthesized by the cyclocondensation of 3-amino-2-benzylamino-3H-quinazolin-4-one with a variety of one-carbon donors. The starting material 3-amino-2-benzylamino-3H-quinazolin-4-one was synthesized from methyl anthranilate by a novel innovative route. The title compounds were evaluated for their in
M K Dewanjee et al.
Bioconjugate chemistry, 2(4), 195-200 (1991-07-01)
Radioactive and nonradioactive oligonucleotide (ON) probes have been used in a variety of studies of in vitro hybridization for locations of specific genes and determination of the level of mRNA transcription in activated and proliferative cells. Nuclease-resistant phosphorothioate derivatives of
María C Soraires Santacruz et al.
Bioorganic & medicinal chemistry, 25(15), 4055-4063 (2017-06-11)
A series of N
Linhua Huang et al.
Molecules (Basel, Switzerland), 25(11) (2020-06-03)
Due to the side effects of obesity medications, many studies have focused on the natural products used in the daily diet to control weight. Moringa seed pods and leaves are widely used as vegetables or diet supplements due to the
Ahmet Demirbas et al.
European journal of medicinal chemistry, 44(7), 2896-2903 (2009-01-27)
4-Amino-2-[(5-arylamino-4,5-dihydro-1,3,4-thiadiazol-2-yl)methyl]-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-ones (3a-c) were obtained in acidic media via the formation of 2-[(4-amino-3-aryl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetyl]-N-arylhydrazinecarbothioamides (2a-c), and then, compound 3b was converted to methylated derivative, 4. The basic treatment of carbothioamide derivatives, 2a-c, afforded 4-amino-2-[(4-aryl-5-sulphanyl-4H-1,2,4-triazol-3-yl)methyl]-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-ones (5a-c). The alkylation reactions of compounds 4H-1,2,4-triazol-3-ylmethyl-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one derivatives
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