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Home > Encyclopedia > 2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE

2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE

2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE structure

2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE 

structure
  • CAS No:

    109029-21-2

  • Formula:

    C7H3N3S2

  • Chemical Name:

    2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE

  • Synonyms:

    2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE;1,2,3-Benzothiadiazol-4-ylisothiocyanate;2,1,3-Benzothiadiazole,4-isothiocyanato-(9CI);4-Isothiocyanato-2,1,3-benzothiadiazole;benzo[c][1,2,5]thiadiazol-4-yl isothiocyanate;4-isothiocyanatopiazthiole;7-isothiocyanato-2,1,3-benzothiadiazole

2,1,3-BENZOTHIADIAZOL-4-YL ISOTHIOCYANATE Basic Attributes

193.25

192.97700

DTXSID90379954

2934999090

Characteristics

98.5

2.42560

1.54±0.1 g/cm3(Predicted)

88 °C

332.6±15.0 °C(Predicted)

155ºC

1.807

Safety Information

IRRITANT

R20/21/22;R36/37/38

S26-S36/37/39

Xn:Harmful;

Harmful

Computed Properties

Molecular Weight:193.3
XLogP3:3.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:192.97683946
Monoisotopic Mass:192.97683946
Topological Polar Surface Area:98.5
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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