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Compound Fr13277

CAT: 0013-GTR19269899-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269899-02Size:5 mg
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Description
Compound Fr13277, with CAS No. 883030-95-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13277 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
883030-95-3
Smiles
CN (C) C (=S) Nc1ccc (F) cc1F
Molecular Formula
C9H10F2N2S
Molecular Weight
216.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2,4-Difluorophenyl)-1,1-dimethylthiourea
CAS Number883030-95-3
PubChem CID2730194
IUPAC Name3-(2,4-difluorophenyl)-1,1-dimethylthiourea
Molecular FormulaC9H10F2N2S
Molecular Weight216.25
XLogP2
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
CN(C)C(=S)NC1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H10F2N2S/c1-13(2)9(14)12-8-4-3-6(10)5-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKey
PSWHKZXMZXDARK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,4-Difluorophenyl)-1,1-dimethylthiourea
CAS: 883030-95-3
CID: 2730194
Formula: C9H10F2N2S
MW: 216.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.25
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass216.05327583
Monoisotopic Mass216.05327583
Topological Polar Surface Area47.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
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

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GTR19269900-01Compound Fr13279
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GTR19269901-01Compound Fr13281
GTR19269897-01Compound Fr13232
GTR19269894-01Compound Fr13218
GTR19269872-01Compound Fr13057
GTR19269870-01Compound Fr13037
GTR19269867-01Compound Fr13007
GTR19269796-01Compound Fr12378

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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