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2-N-Propyl Pramipexole

CAT: 0572-TRC-P836000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P836000-10MGSize:10 mg
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CAS Number
1246815-83-7
Synonyms
(6S)-4,5,6,7-Tetrahydro-N2,N6-dipropyl-2,6-benzothiazolediamine; (6S)-N,N'-Di-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Hazard Statement
Harmful if swallowed
Smiles
CCCN[C@H]1CCc2nc(NCCC)sc2C1
Molecular Formula
C13 H23 N3 S
Molecular Weight
253.41
InChI
InChI=1S/C13H23N3S/c1-3-7-14-10-5-6-11-12(9-10)17-13(16-11)15-8-4-2/h10,14H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1
Additionnal Information
IUPAC name: (6S)-2-N,6-N-dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Propylpramipexole
CAS Number1246815-83-7
PubChem CID56604951
IUPAC Name(6S)-2-N,6-N-dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Molecular FormulaC13H23N3S
Molecular Weight253.41
XLogP3.4
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity225
SMILES
CCCN[C@H]1CCC2=C(C1)SC(=N2)NCCC
InChI
InChI=1S/C13H23N3S/c1-3-7-14-10-5-6-11-12(9-10)17-13(16-11)15-8-4-2/h10,14H,3-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKey
NSHVRDSQVRQBFT-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of N-Propylpramipexole
CAS: 1246815-83-7
CID: 56604951
Formula: C13H23N3S
MW: 253.41
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight253.41
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass253.16126892
Monoisotopic Mass253.16126892
Topological Polar Surface Area65.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes