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CAS Number: 35967-24-9
5-isothiocyanato-1,2,3-trimethoxybenzene

Structure

 5-isothiocyanato-1,2,3-trimethoxybenzene
Name: 5-isothiocyanato-1,2,3-trimethoxybenzene
Synonyms:
General Information
Product Number: 35967249

CAS Registry Number 35967-24-9
Name:
Benzene, 5-?isothiocyanato-?1,?2,?3-?trimethoxy-
5-Isothiocyanato-1,2,3-trimethoxybenzene
3,4,5-Trimethoxyphenyl isothiocyanate

 

Chemical Formula: C10H11NO3S
Exact Mass: 225.05
Molecular Weight: 225.26
m/z: 225.05 (100.0%), 226.05 (11.9%), 227.04 (4.5%), 227.05 (1.3%)

 

InChI:InChI=1S/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H3

InChI Key:AFWKAIYTSPWWCA-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)N=C=S

Specification

98%
References

PCT Int. Appl. (2013), WO 2013054998 A1 20130418.

Journal of Medicinal Chemistry (2016), 59(12), 5922-5928.
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