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DBD-NCS

DBD-NCS structure

DBD-NCS 

structure
  • CAS No:

    147611-81-2

  • Formula:

    C9H8N4O3S2

  • Chemical Name:

    DBD-NCS

  • Synonyms:

    DBD-NCS [=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole] [for HPLC Labeling and Edman Degradation];DBD-NCS[=4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole];DBD-NCS[=4-(N,N-Dimethylaminosulfonyl)-7-isothiocya;4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanatobenzofurazan4-(N,N-Dimethylaminosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole;[=4-(N,N-DiMethylaMinosulfonyl)-7-isothiocyanato-2,1,3-benzoxadiazole] [for HPLC Labeling and EdMan Degradation];DBD-NCS 4-(N,N-DIMETHYLAMINOSULFONYL)-7-ISOTHIOCYANATO-2,1,3-BENZOXADIAZOLE;4-(N,N-DIMETHYLAMINOSULFONYL)-7-ISOTHIOCYANATOBENZOFURAZAN

  • Categories:

    Analytical Chemistry  >  Liquid Chromatography

DBD-NCS Basic Attributes

284.31

284.00400

DTXSID00163760

2935009090

Characteristics

129

2.28820

1.58±0.1 g/cm3(Predicted)

126°C

458.1±55.0 °C(Predicted)

230.8ºC

1.711

Refrigerator

Safety Information

36/37/38

26-36/37/39

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

7-N,N-dimethylaminosulfonyl-4-(2,1,3-benzoxadiazolyl)isothiocyanate

Computed Properties

Molecular Weight:284.3
XLogP3:1.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:284.00378248
Monoisotopic Mass:284.00378248
Topological Polar Surface Area:129
Heavy Atom Count:18
Complexity:455
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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