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OX1a

CAT: 0931-T25903-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25903-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136340-88-0
Target
Others
Related Pathways
Others
Bioactivity
OX1a is an orco antagonist agent which acts as a non-competitive inhibitor of odorant activation of an insect OR.
Smiles
N(C(=O)C1=CC=CS1)C2=CC=C(CC)C=C2
Molecular Formula
C13H13NOS
Molecular Weight
231.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-ethylphenyl)thiophene-2-carboxamide
CAS Number136340-88-0
PubChem CID668782
IUPAC NameN-(4-ethylphenyl)thiophene-2-carboxamide
Molecular FormulaC13H13NOS
Molecular Weight231.32
XLogP3.6
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity236
SMILES
CCC1=CC=C(C=C1)NC(=O)C2=CC=CS2
InChI
InChI=1S/C13H13NOS/c1-2-10-5-7-11(8-6-10)14-13(15)12-4-3-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChIKey
VGVHJESBFMWXJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-ethylphenyl)thiophene-2-carboxamide
CAS: 136340-88-0
CID: 668782
Formula: C13H13NOS
MW: 231.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.32
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass231.07178521
Monoisotopic Mass231.07178521
Topological Polar Surface Area57.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity236
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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