Compound Fr13043

CAT: 0013-GTR19269871-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19269871-02Size:10 mg

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Description

Compound Fr13043, with CAS No. 154371-25-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13043 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

154371-25-2

Purity

>99.99% (May vary between batches)

Smiles

NC (=S) NC1=CC=C (F) C (Cl) =C1

Molecular Formula

C7H6ClFN2S

Molecular Weight

204.66

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(3-Chloro-4-fluorophenyl)thiourea

N-(3-chloro-4-fluorophenyl)thiourea is an organofluorine compound.

CAS Number	154371-25-2
PubChem CID	704698
IUPAC Name	(3-chloro-4-fluorophenyl)thiourea
Molecular Formula	C7H6ClFN2S
Molecular Weight	204.65
XLogP	1.9
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	179

SMILES

C1=CC(=C(C=C1NC(=S)N)Cl)F

InChI

InChI=1S/C7H6ClFN2S/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)

InChIKey

OVJVZVPEMXLKOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154371-25-2

CID: 704698

Formula: C7H6ClFN2S

MW: 204.65

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	204.65
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.9924252
Monoisotopic Mass	203.9924252
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19269881-01	Compound Fr13143
GTR19270009-01	Compound Fr13943
GTR19269947-01	Compound Fr13663
GTR19269932-01	Compound Fr13547
GTR19269925-01	Compound Fr13453
GTR19269876-01	Compound Fr13095
GTR19269872-01	Compound Fr13057
GTR19269870-01	Compound Fr13037
GTR19269867-01	Compound Fr13007
GTR19269912-01	Compound Fr13342

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
B7337-5	Compound 401
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296
PDK0264-01	Compound PDK0264
Fr14090-01	Compound Fr14090

Compound Fr13043

Chemical Information

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