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N-methylbenzothiazol-2-amine

CAT: 0013-GTR19254086-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254086-01Size:200 mg
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Description
N-methylbenzothiazol-2-amine , with CAS No. 16954-69-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. N-methylbenzothiazol-2-amine provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
16954-69-1
Smiles
CNC1=NC2=CC=CC=C2S1
Molecular Formula
C8H8N2S
Molecular Weight
164.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Methylbenzothiazol-2-amine
CAS Number16954-69-1
PubChem CID28160
IUPAC NameN-methyl-1,3-benzothiazol-2-amine
Molecular FormulaC8H8N2S
Molecular Weight164.23
XLogP2.6
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
CNC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
InChIKey
QVKPPRYUGJFISN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylbenzothiazol-2-amine
CAS: 16954-69-1
CID: 28160
Formula: C8H8N2S
MW: 164.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.23
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass164.04081944
Monoisotopic Mass164.04081944
Topological Polar Surface Area53.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
PNA22367(4- (6-methylbenzothiazol-2-yl) phenyl) ((4-nitrophenyl) sulfonyl) amine
QRA938052-methyl-N- (4- (6-methylbenzothiazol-2-yl) phenyl) propanamide
VKB68054N- (4- (6-methylbenzothiazol-2-yl) phenyl) -3-phenylprop-2-enamide
GW7938-5g4- (6-Methylbenzothiazol-2-yl) -aniline
sc-2895474- (6-Methylbenzothiazol-2-yl) -anilin sulfat
FD169002-01(3,5-dinitrophenyl) -N- (4- (5-methylbenzothiazol-2-yl) phenyl) formamide
RG-A263303-01N, N,2-Trimethylpropan-2-Amine
OR1014158-01N, N-Diphenylnaphthalen-2-Amine
RG-D090545-01N, N-Dimethylpyridin-2-Amine
RG-D090536-01N, N-Diethylpropan-2-Amine

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