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Compound Fr13556

CAT: 0013-GTR19269933-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269933-01Size:1 mg
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Description
Compound Fr13556, with CAS No. 666699-50-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13556 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
666699-50-9
Smiles
CC (C) (C) SCCNC (=O) c1cccs1
Molecular Formula
C11H17NOS2
Molecular Weight
243.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide

N2-[2-(tert-butylthio)ethyl]thiophene-2-carboxamide is a member of thiophenes and an aromatic amide.

CAS Number666699-50-9
PubChem CID2805075
IUPAC NameN-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
Molecular FormulaC11H17NOS2
Molecular Weight243.4
XLogP2.8
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity213
SMILES
CC(C)(C)SCCNC(=O)C1=CC=CS1
InChI
InChI=1S/C11H17NOS2/c1-11(2,3)15-8-6-12-10(13)9-5-4-7-14-9/h4-5,7H,6,8H2,1-3H3,(H,12,13)
InChIKey
ZTWMHMRCGQOATJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
CAS: 666699-50-9
CID: 2805075
Formula: C11H17NOS2
MW: 243.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass243.07515651
Monoisotopic Mass243.07515651
Topological Polar Surface Area82.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity213
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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GTR19269925-01Compound Fr13453
GTR19269921-01Compound Fr13416
GTR19269911-01Compound Fr13326
GTR19269884-01Compound Fr13155
GTR19269872-01Compound Fr13057
GTR19269964-01Compound Fr13716

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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