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3-Hydroxythiophene-2-carboxamide

CAT: 0127-OR318023-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR318023-01Size:1 g
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CAS Number
57059-24-2
MDL Number
MFCD09057756
Purity
95%
Smiles
NC(=O)c1sccc1O

Chemical Information

3-Hydroxythiophene-2-carboxamide
CAS Number57059-24-2
PubChem CID54696409
IUPAC Name3-hydroxythiophene-2-carboxamide
Molecular FormulaC5H5NO2S
Molecular Weight143.17
XLogP1
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity128
SMILES
C1=CSC(=C1O)C(=O)N
InChI
InChI=1S/C5H5NO2S/c6-5(8)4-3(7)1-2-9-4/h1-2,7H,(H2,6,8)
InChIKey
RVURYQBOSVZXOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxythiophene-2-carboxamide
CAS: 57059-24-2
CID: 54696409
Formula: C5H5NO2S
MW: 143.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.17
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass143.00409958
Monoisotopic Mass143.00409958
Topological Polar Surface Area91.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity128
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