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About This Item
Empirical Formula (Hill Notation):
C7H12N2OS
CAS Number:
Molecular Weight:
172.25
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
assay
96%
refractive index
n20/D 1.5380 (lit.)
bp
163 °C/10 mmHg (lit.)
density
1.129 g/mL at 25 °C (lit.)
functional group
amine
ether
isothiocyanate
storage temp.
2-8°C
SMILES string
S=C=NCCN1CCOCC1
InChI
1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2
InChI key
SDNSCXCXVQHBGH-UHFFFAOYSA-N
Application
2-(4-Morpholino)ethyl isothiocyanate may be used to synthesize (R,S)-(2-morpholin-4-yl-ethyl)-thiocarbamic acid O-(5-[1,2] dithiolan-3-yl pentyl) ester hydrochloride.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Claude Guillonneau et al.
European journal of medicinal chemistry, 38(1), 1-11 (2003-02-21)
Molecules containing a dithiolane moiety are widely investigated due to their antioxidant properties. The archetypal representative of this class of compounds is lipoic acid and indeed the lipoic acid-dihydrolipoic acid couple is part of the antioxidant defence system of the
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