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2-Acetyl-3-aminothiophene

CAT: 0013-GTR19251648-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251648-01Size:100 mg
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Description
2-Acetyl-3-aminothiophene
CAS Number
31968-33-9
Smiles
CC (=O) c1sccc1N
Molecular Formula
C6H7NOS
Molecular Weight
141.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Acetyl-3-aminothiophene
CAS Number31968-33-9
PubChem CID2735233
IUPAC Name1-(3-aminothiophen-2-yl)ethanone
Molecular FormulaC6H7NOS
Molecular Weight141.19
XLogP1.5
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
CC(=O)C1=C(C=CS1)N
InChI
InChI=1S/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3
InChIKey
MMLSKDGCLMDHAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-3-aminothiophene
CAS: 31968-33-9
CID: 2735233
Formula: C6H7NOS
MW: 141.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.19
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass141.02483502
Monoisotopic Mass141.02483502
Topological Polar Surface Area71.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
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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