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Compound Fr16634

CAT: 0931-Fr16634-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0931-Fr16634-01Size:2 g
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CAS Number
527-72-0
Bioactivity
Compound Fr16634, with CAS No. 527-72-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16634 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
OC(=O)C1=CC=CS1
Molecular Formula
C5H4O2S
Molecular Weight
128.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Thiophenecarboxylic acid

Thiophene-2-carboxylic acid is a thiophenecarboxylic acid in which the carboxy group is located at position 2. It is a conjugate acid of a thiophene-2-carboxylate.

CAS Number527-72-0
PubChem CID10700
IUPAC Namethiophene-2-carboxylic acid
Molecular FormulaC5H4O2S
Molecular Weight128.15
XLogP1.6
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity103
SMILES
C1=CSC(=C1)C(=O)O
InChI
InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey
QERYCTSHXKAMIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Thiophenecarboxylic acid
CAS: 527-72-0
CID: 10700
Formula: C5H4O2S
MW: 128.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.15
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass127.99320054
Monoisotopic Mass127.99320054
Topological Polar Surface Area65.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity103
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
Fr16633-01Compound Fr16633
Fr16674-01Compound Fr16674
Fr16638-01Compound Fr16638
Fr12634-01Compound Fr12634
Fr16694-01Compound Fr16694
Fr16632-01Compound Fr16632
Fr16734-01Compound Fr16734
Fr16643-01Compound Fr16643
Fr16630-01Compound Fr16630
Fr16639-01Compound Fr16639

Alternative Products

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