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

Catalog Number

ACM109029212

Product Name

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

Structure

CAS

109029-21-2

Category

Heterocyclic Organic Compound

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

Molecular Weight

193.25

Molecular Formula

C₇H₃N₃S₂

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

MSDS

COA

Spec Sheet