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Compound PDK0167

CAT: 0931-PDK0167-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0167-02Size:25 mg
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CAS Number
2933-29-1
Bioactivity
Compound PDK0167, with CAS No. 2933-29-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0167 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.
Smiles
NC1=NC2=C(CCCC2)S1
Molecular Formula
C7H10N2S
Molecular Weight
154.233
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Amino-4,5,6,7-tetrahydrobenzothiazole

structure in first source

CAS Number2933-29-1
PubChem CID18046
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Molecular FormulaC7H10N2S
Molecular Weight154.24
XLogP1.5
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1CCC2=C(C1)N=C(S2)N
InChI
InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
InChIKey
SMWAOXCEPHEGFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4,5,6,7-tetrahydrobenzothiazole
CAS: 2933-29-1
CID: 18046
Formula: C7H10N2S
MW: 154.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.24
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass154.05646950
Monoisotopic Mass154.05646950
Topological Polar Surface Area67.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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

Related Products

CatalogName
PDK0067-01Compound PDK0067
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PDK0176-01Compound PDK0176
PDK0117-01Compound PDK0117
PDK0169-01Compound PDK0169
PDK0187-01Compound PDK0187
PDK0165-01Compound PDK0165
PDK0157-01Compound PDK0157

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