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Merck
CN

757381

(S)-(−)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

97%

Synonym(s):

2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, (6S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine, (S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine, (S)-4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine, (S)-4,5,6,7-Tetrahydrobenzothiazole-2,6-diamine

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About This Item

Empirical Formula (Hill Notation):
C7H11N3S
CAS Number:
106092-09-5
Molecular Weight:
169.25
NACRES:
NA.22
PubChem Substance ID:
329766669
UNSPSC Code:
12352005
MDL number:
MFCD07368003

Key Documents

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Product Name

(S)-(−)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, 97%

InChI

1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)/t4-/m0/s1

SMILES string

N[C@H]1CCc2nc(N)sc2C1

InChI key

DRRYZHHKWSHHFT-BYPYZUCNSA-N

assay

97%

form

powder

mp

230.1-231.1 °C

storage temp.

2-8°C

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Application

(S)-(−)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole can be used:
  • To prepare its sulfate monohydrate salt, which acts as a good material for nonlinear optical (NLO) applications.
  • As a corrosion inhibitor for mild steel in acidic medium.
  • As an intermediate in the synthesis of pramipexole, a dopamine D2 subfamily receptor agonist.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBK3481V
MKBK3481

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Structural characterization, vibrational study, NLO and DFT calculations of a novel organic sulfate monohydrate templated with (S)-(-)-2, 6-diammonium-4, 5, 6, 7-tetrahydrobenzothiazole
Barhoumi A, et al.
Journal of Molecular Structure, 1128, 544-551 (2017)
A novel scalable synthesis of pramipexole
Z?ivec M, et al.
Organic Process Research & Development, 14(5), 1125-1129 (2010)
Exploration of (S)-4, 5, 6, 7-tetrahydrobenzo [d] thiazole-2, 6-diamine as feasible corrosion inhibitor for mild steel in acidic media
Manivel A, et al.
Journal of Environmental Chemical Engineering, 2(1), 463-470 (2014)

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