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CAS Number: 40046-30-8
1-isothiocyanato-3,5-dimethylbenzene

Structure

 1-isothiocyanato-3,5-dimethylbenzene
Name: 1-isothiocyanato-3,5-dimethylbenzene
Synonyms:
General Information
Product Number: 40046308

CAS Registry Number 40046-30-8
Name:
Benzene, 1-?isothiocyanato-?3,?5-?dimethyl-
1-Isothiocyanato-3,5-dimethylbenzene
3,5-Dimethylphenyl isothiocyanate
3,5-Xylyl isothiocyanate

 

Chemical Formula: C9H9NS
Exact Mass: 163.05
Molecular Weight: 163.24
m/z: 163.05 (100.0%), 164.05 (9.8%), 165.04 (4.5%), 164.04 (1.2%)

 

InChI:InChI=1S/C9H9NS/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3

InChI Key:DSMXCADWIFIJEX-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1)N=C=S)C

Specification

98%
References

PCT Int. Appl. (2013), WO 2013124026 A1 20130829.                                  

PCT Int. Appl. (2012), WO 2012087938 A1 20120628. 
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