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Compound Fr13091

CAT: 0013-GTR19269875-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269875-01Size:1 mg
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Description
Compound Fr13091, with CAS No. 175205-26-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13091 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
175205-26-2
Smiles
NC (=S) Nc1ccc (F) c (F) c1F
Molecular Formula
C7H5F3N2S
Molecular Weight
206.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3,4-Trifluorophenylthiourea
CAS Number175205-26-2
PubChem CID2777971
IUPAC Name(2,3,4-trifluorophenyl)thiourea
Molecular FormulaC7H5F3N2S
Molecular Weight206.19
XLogP1.4
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity202
SMILES
C1=CC(=C(C(=C1NC(=S)N)F)F)F
InChI
InChI=1S/C7H5F3N2S/c8-3-1-2-4(12-7(11)13)6(10)5(3)9/h1-2H,(H3,11,12,13)
InChIKey
OVJUYOKLFOWYFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trifluorophenylthiourea
CAS: 175205-26-2
CID: 2777971
Formula: C7H5F3N2S
MW: 206.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass206.01255383
Monoisotopic Mass206.01255383
Topological Polar Surface Area70.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity202
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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