(S)-4,5,6,7-Tetrahydro-N2,N6-propionyl-2,6-benzothiazolediamine

Base Information

• Chemical Name: (S)-4,5,6,7-Tetrahydro-N2,N6-propionyl-2,6-benzothiazolediamine
• CAS No.: 1346617-47-7
• Molecular Formula: C13H19N3O2S
• Molecular Weight: 281.38
• UNII: TWN6KRQ7WM
• DSSTox Substance ID: DTXSID20743987
• Wikidata: Q82691477
• Mol file: 1346617-47-7.mol

Synonyms:1346617-47-7;(S)-4,5,6,7-Tetrahydro-N2,N6-propionyl-2,6-benzothiazolediamine;Pramipexole diamide;TWN6KRQ7WM;N-[(6S)-2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(S)-N,N'-(4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diyl)dipropionamide;N,N'-((6S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediyl)bis(propanamide);Propanamide, N,N'-((6S)-4,5,6,7-tetrahydro-2,6-benzothiazolediyl)bis-;Propanamide, N,N'-[(6S)-4,5,6,7-tetrahydro-2,6-benzothiazolediyl]bis-;UNII-TWN6KRQ7WM;DTXSID20743987;IENNBFXOKKQJGB-QMMMGPOBSA-N;N,N'-[(6S)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diyl]dipropanamide;Propanamide,N,N'-[(6S)-4,5,6,7-tetrahydro-2,6-benzothiazolediyl]bis-

Chemical Property of (S)-4,5,6,7-Tetrahydro-N2,N6-propionyl-2,6-benzothiazolediamine

Chemical Property:

• Storage Temp.: Refrigerator
• Solubility.: Acetone (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 281.11979803
• Heavy Atom Count: 19
• Complexity: 351

Purity/Quality:

98%min ^*data from raw suppliers

(S)-4,5,6,7-Tetrahydro-N2,N6-propionyl-2,6-benzothiazolediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NC1CCC2=C(C1)SC(=N2)NC(=O)CC
• Isomeric SMILES: CCC(=O)N[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CC