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

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

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

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

structure
  • CAS No:

    342411-14-7

  • Formula:

    C7H3N3OS

  • Chemical Name:

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

  • Synonyms:

    2,1,3-BENZOTHIADIAZOL-4-YL ISOCYANATE;4-ISOCYANATO-2,1,3-BENZOTHIADIAZOLE;1,2,3-Benzothiadiazol-4-ylisocyanate;2,1,3-Benzothiadiazol-4-yl isoxyanate;2,1,3-Benzothiadiazole,4-isocyanato-(9CI);4-isocyanatobenzo[c][1,2,5]thiadiazole;2,1,3-Benzothiadiazole, 4-isocyanato-

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

177.18

177.00000

DTXSID30379953

2934999090

Characteristics

83.4

1.65860

1.55g/cm3

81 °C

268.1ºC at 760mmHg

115.9ºC

1.772

Safety Information

20/21/22-36/37/38-41-37/38-22

26-36/37/39-39

T,Xn

Toxic

Computed Properties

Molecular Weight:177.19
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:176.99968290
Monoisotopic Mass:176.99968290
Topological Polar Surface Area:83.4
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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