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CAS Number: 36176-31-5
1-isopropyl-2-isothiocyanatobenzene

Structure

 1-isopropyl-2-isothiocyanatobenzene
Name: 1-isopropyl-2-isothiocyanatobenzene
Synonyms:
General Information
Product Number: 36176315

CAS Registry Number 36176-31-5
Name:
Benzene, 1-?isothiocyanato-?2-?(1-?methylethyl)?-
1-Isopropyl-2-isothiocyanatobenzene
2-Isopropylphenyl isothiocyanate
Isothiocyanic acid o-cumenyl ester

 

Chemical Formula: C10H11NS
Exact Mass: 177.06
Molecular Weight: 177.27
m/z: 177.06 (100.0%), 178.06 (12.0%), 179.06 (4.6%)

 

InChI:InChI=1S/C10H11NS/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3

InChI Key:QQOOMDSEMQHMIR-UHFFFAOYSA-N

Canonical SMILES:CC(C)C1=CC=CC=C1N=C=S

Specification

98%
References

PCT Int. Appl. (2016), WO 2016014664 A1 20160128.                                  

PCT Int. Appl. (2014), WO 2014011429 A1 20140116. 
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