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Structure

2,1,3-Benzothiadiazole,4-isothiocyanato-

CAS
109029-21-2
Catalog Number
ACM109029212
Category
Other Products
Molecular Weight
193.25
Molecular Formula
C7H3N3S2

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Specification

Synonyms
2,1,3-Benzothiadiazol-4-yl isothiocyanate, 109029-21-2, 4-isothiocyanato-2,1,3-benzothiadiazole, 2,1,3-Benzothiadiazole,4-isothiocyanato-, ZINC00158656, AC1MCQUS, ACMC-1C9H6, CTK4A6299, MolPort-000-142-362, SBB091616, AKOS005174815, AG-D-25765, CC09107, RP03921, BP-10666, benzo[c]1,2,5-thiadiazol-4-isothiocyanate, KB-163643, 4-Isothiocyanatobenzo[c][1,2,5]thiadiazole, FT-0608992, Y7010
IUPAC Name
4-isothiocyanato-2,1,3-benzothiadiazole
Canonical SMILES
C1=CC2=NSN=C2C(=C1)N=C=S
InChI Key
JMBKFBYZSWMIOI-UHFFFAOYSA-N
Boiling Point
332.6ºC at 760 mmHg
Melting Point
88ºC
Flash Point
155ºC
Density
1.54g/cm³
Exact Mass
192.97700
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
S26-S36/37/39
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