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Compound Fr13601

CAT: 0931-Fr13601-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13601-02Size:2 mg
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CAS Number
283170-81-0
Bioactivity
Compound Fr13601, with CAS No. 283170-81-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13601 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
Cc1cccc(C)c1\N=C1/NC(C)(CO)CS1
Molecular Formula
C13H18N2OS
Molecular Weight
250.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[2-[(2,6-Dimethylphenyl)imino]-4-methyl-1,3-thiazolan-4-yl]methanol
CAS Number283170-81-0
PubChem CID612917
IUPAC Name[2-(2,6-dimethylanilino)-4-methyl-5H-1,3-thiazol-4-yl]methanol
Molecular FormulaC13H18N2OS
Molecular Weight250.36
XLogP2
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity298
SMILES
CC1=C(C(=CC=C1)C)NC2=NC(CS2)(C)CO
InChI
InChI=1S/C13H18N2OS/c1-9-5-4-6-10(2)11(9)14-12-15-13(3,7-16)8-17-12/h4-6,16H,7-8H2,1-3H3,(H,14,15)
InChIKey
PBSUIFCZZFAASR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-[(2,6-Dimethylphenyl)imino]-4-methyl-1,3-thiazolan-4-yl]methanol
CAS: 283170-81-0
CID: 612917
Formula: C13H18N2OS
MW: 250.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.36
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass250.11398438
Monoisotopic Mass250.11398438
Topological Polar Surface Area69.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13604-01Compound Fr13604
Fr13001-01Compound Fr13001
Fr12601-01Compound Fr12601
Fr13651-01Compound Fr13651
Fr13641-01Compound Fr13641
Fr13681-01Compound Fr13681
Fr13671-01Compound Fr13671
Fr13611-01Compound Fr13611
Fr13201-01Compound Fr13201
Fr13401-01Compound Fr13401

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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