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Compound Fr13422

CAT: 0931-Fr13422-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13422-02Size:2 mg
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CAS Number
280133-31-5
Bioactivity
Compound Fr13422, with CAS No. 280133-31-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13422 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
CN(C)NC(=S)NCc1ccc(F)cc1
Molecular Formula
C10H14FN3S
Molecular Weight
227.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(Dimethylamino)-3-[(4-fluorophenyl)methyl]thiourea

N-(4-fluorobenzyl)-2,2-dimethylhydrazine-1-carbothioamide is an organofluorine compound.

CAS Number280133-31-5
PubChem CID2826160
IUPAC Name1-(dimethylamino)-3-[(4-fluorophenyl)methyl]thiourea
Molecular FormulaC10H14FN3S
Molecular Weight227.30
XLogP1.8
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CN(C)NC(=S)NCC1=CC=C(C=C1)F
InChI
InChI=1S/C10H14FN3S/c1-14(2)13-10(15)12-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3,(H2,12,13,15)
InChIKey
WFRWDNIAEMTOKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Dimethylamino)-3-[(4-fluorophenyl)methyl]thiourea
CAS: 280133-31-5
CID: 2826160
Formula: C10H14FN3S
MW: 227.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.30
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass227.08924679
Monoisotopic Mass227.08924679
Topological Polar Surface Area59.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
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
Fr13432-01Compound Fr13432
Fr13822-01Compound Fr13822
Fr13622-01Compound Fr13622
Fr13492-01Compound Fr13492
Fr13482-01Compound Fr13482
Fr13462-01Compound Fr13462
Fr13420-01Compound Fr13420
Fr13242-01Compound Fr13242
Fr13421-01Compound Fr13421
Fr13022-01Compound Fr13022

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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