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Compound 347187-30-8

CAT: 0931-TPL0164-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0164-01Size:100 mg
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CAS Number
347187-30-8
Purity
0.9997
Bioactivity
Compound 347187-30-8, with CAS No. 347187-30-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 347187-30-8 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)c1cc2ncccc2s1
Molecular Formula
C8H5NO2S
Molecular Weight
179.196
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thieno[3,2-b]pyridine-2-carboxylic acid
CAS Number347187-30-8
PubChem CID22047169
IUPAC Namethieno[3,2-b]pyridine-2-carboxylic acid
Molecular FormulaC8H5NO2S
Molecular Weight179.20
XLogP1.8
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity197
SMILES
C1=CC2=C(C=C(S2)C(=O)O)N=C1
InChI
InChI=1S/C8H5NO2S/c10-8(11)7-4-5-6(12-7)2-1-3-9-5/h1-4H,(H,10,11)
InChIKey
WVWCTPQHJWMLKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thieno[3,2-b]pyridine-2-carboxylic acid
CAS: 347187-30-8
CID: 22047169
Formula: C8H5NO2S
MW: 179.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.20
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass179.00409958
Monoisotopic Mass179.00409958
Topological Polar Surface Area78.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity197
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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