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Compound Fr13501

CAT: 0931-Fr13501-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13501-02Size:2 mg
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CAS Number
20069-30-1
Bioactivity
Compound Fr13501, with CAS No. 20069-30-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13501 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
NNC(=S)Nc1cccc(c1)C(F)(F)F
Molecular Formula
C8H8F3N3S
Molecular Weight
235.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide
CAS Number20069-30-1
PubChem CID737504
IUPAC Name1-amino-3-[3-(trifluoromethyl)phenyl]thiourea
Molecular FormulaC8H8F3N3S
Molecular Weight235.23
XLogP2.2
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity232
SMILES
C1=CC(=CC(=C1)NC(=S)NN)C(F)(F)F
InChI
InChI=1S/C8H8F3N3S/c9-8(10,11)5-2-1-3-6(4-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15)
InChIKey
KDDAUQBQXBHUPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(Trifluoromethyl)phenyl)hydrazinecarbothioamide
CAS: 20069-30-1
CID: 737504
Formula: C8H8F3N3S
MW: 235.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.23
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass235.03910293
Monoisotopic Mass235.03910293
Topological Polar Surface Area82.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity232
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
Fr13502-01Compound Fr13502
Fr13001-01Compound Fr13001
Fr12501-01Compound Fr12501
Fr13591-01Compound Fr13591
Fr13509-01Compound Fr13509
Fr13506-01Compound Fr13506
Fr13051-01Compound Fr13051
Fr13508-01Compound Fr13508
Fr13201-01Compound Fr13201
Fr13601-01Compound Fr13601

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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