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Compound Fr13693

CAT: 0013-GTR19269956-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269956-02Size:5 mg
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Description
Compound Fr13693, with CAS No. 14282-78-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13693 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
14282-78-1
Smiles
CC1=CSC (=C1) C (O) =O
Molecular Formula
C6H6O2S
Molecular Weight
142.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methylthiophene-2-carboxylic acid
CAS Number14282-78-1
PubChem CID2794584
IUPAC Name4-methylthiophene-2-carboxylic acid
Molecular FormulaC6H6O2S
Molecular Weight142.18
XLogP1.8
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
CC1=CSC(=C1)C(=O)O
InChI
InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
InChIKey
YCIVJGQMXZZPAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylthiophene-2-carboxylic acid
CAS: 14282-78-1
CID: 2794584
Formula: C6H6O2S
MW: 142.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.18
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass142.00885060
Monoisotopic Mass142.00885060
Topological Polar Surface Area65.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
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
GTR19270154-01Compound Fr16693
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GTR19269947-01Compound Fr13663
GTR19269959-01Compound Fr13697
GTR19269953-01Compound Fr13683
GTR19269951-01Compound Fr13673
GTR19269976-01Compound Fr13783
GTR19269940-01Compound Fr13618
GTR19269928-01Compound Fr13491
GTR19269925-01Compound Fr13453

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ALX-550-516-M025Compound A
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B7337-5Compound 401
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
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