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Home > Encyclopedia > 4,5,6,7-Tetrahydro-2,6-benzothiazolediamine

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine structure

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine 

structure
  • CAS No:

    104617-49-4

  • Formula:

    C7H11N3S

  • Chemical Name:

    4,5,6,7-Tetrahydro-2,6-benzothiazolediamine

  • Synonyms:

    2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-;4,5,6,7-Tetrahydro-2,6-benzothiazolediamine;2,6-Diamino-4,5,6,7-tetrahydro-1,3-benzothiazole;2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole;4,5,6,7-Tetrahydrobenzothiazole-2,6-diamine;(RS)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole;106006-83-1

  • Categories:

    Pharmaceutical Intermediates  >  Antiparkinson Agents

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine Basic Attributes

169.25

169.25

1308068-626-2

2934999090

Characteristics

93.2

0.5

off-white powder

1.313±0.06 g/cm3(Predicted)

359°C at 760 mmHg

170.9±27.9 °C

1.656

2.45E-05mmHg at 25°C

Safety Information

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine Use and Manufacturing

Used for preparing anti-Parkinson~"s disease drug pramipexole

Computed Properties

Molecular Weight:169.25
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:169.06736854
Monoisotopic Mass:169.06736854
Topological Polar Surface Area:93.2
Heavy Atom Count:11
Complexity:153
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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