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Structure

s-(4,5-Dimethoxy-2-nitrobenzyl)isothiouronium bromide

CAS
155614-05-4
Catalog Number
ACM155614054
Category
Other Products
Molecular Weight
352.2
Molecular Formula
C10H14BrN3O4S

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Specification

Synonyms
ST057367, 155614-05-4, S-(4,5-Dimethoxy-2-nitrobenzyl)isothiouronium bromide, 2-(4,5-Dimethoxy-2-nitrobenzyl)-2-thiopseudourea hydrobromide, [(4,5-dimethoxy-2-nitrophenyl)methyl]thiocarboxamidine, bromide, D1301_SIGMA, 417009_ALDRICH, SBB005935, MCULE-2055499809, FT-0643525, A809665, (4,5-dimethoxy-2-nitro-phenyl)methyl carbamimidothioate hydrobromide, carbamimidothioic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester hydrobromide
IUPAC Name
(4,5-dimethoxy-2-nitrophenyl)methyl carbamimidothioate;hydrobromide
Canonical SMILES
COC1=C(C=C(C(=C1)CSC(=N)N)[N+](=O)[O-])OC.Br
InChI Key
LOQPMIGKYIVTQT-UHFFFAOYSA-N
Boiling Point
471.8ºC at 760 mmHg
Melting Point
230-231ºC (dec.)(lit.)
Flash Point
239.1ºC
Exact Mass
350.98900
Hazard Statements
T: Toxic;
H-Bond Acceptor
6
H-Bond Donor
2
Safety Description
53-22-36/37/39-45
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