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CAS Number: 32393-32-1
(1-isothiocyanatoethyl)benzene

Structure

(1-isothiocyanatoethyl)benzene
Name: (1-isothiocyanatoethyl)benzene
Synonyms:
General Information
Product Number: 32393321

CAS Registry Number 4478-92-6
Name:
Benzene, (1-?isothiocyanatoethyl)?-
Isothiocyanic acid, α-methylbenzyl ester (6CI,7CI,8CI)
(1-Isothiocyanatoethyl)benzene
1-Phenylethyl isothiocyanate
NSC 221236
α-Methylbenzylisothiocyanate

 

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

InChI Key:QQCJPTVZIZVKEZ-UHFFFAOYSA-N

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

Specification

98%

References
  1. (3) Kjaer, Anders; Acta Chemica Scandinavica 1957, V11, P184-5 CAPLUS
  2. (10) Ohlsson, Erick; Svensk Kemisk Tidskrift 1917, V29, P82-5 CAPLUS
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