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Compound Fr13124

CAT: 0013-GTR19269877-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269877-02Size:5 mg
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Description
Compound Fr13124, with CAS No. 74772-16-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13124 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
74772-16-0
Smiles
COC (=O) C1=C (C=CS1) N1C=CC=C1
Molecular Formula
C10H9NO2S
Molecular Weight
207.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
CAS Number74772-16-0
PubChem CID522560
IUPAC Namemethyl 3-pyrrol-1-ylthiophene-2-carboxylate
Molecular FormulaC10H9NO2S
Molecular Weight207.25
XLogP2.2
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
COC(=O)C1=C(C=CS1)N2C=CC=C2
InChI
InChI=1S/C10H9NO2S/c1-13-10(12)9-8(4-7-14-9)11-5-2-3-6-11/h2-7H,1H3
InChIKey
FYNQCKPHPLFYDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate
CAS: 74772-16-0
CID: 522560
Formula: C10H9NO2S
MW: 207.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.25
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.03539970
Monoisotopic Mass207.03539970
Topological Polar Surface Area59.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
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

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