Products for Research Use Only

3-Thiophenecarboxaldehyde

CAT: 0931-TYD-02650-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TYD-02650-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
498-62-4
Target
Others
Related Pathways
Others
Purity
0.9988
Bioactivity
3-Thiophenecarboxaldehyde is a thiophene derivative containing an aldehyde group, suitable for biochemical experiments and drug synthesis research.
Smiles
O=CC1=CSC=C1
Molecular Formula
C5H4OS
Molecular Weight
112.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Thiophenecarboxaldehyde

3-formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 3. It has a role as a metabolite. It is an aldehyde and a member of thiophenes. It derives from a hydride of a thiophene.

CAS Number498-62-4
PubChem CID68135
IUPAC Namethiophene-3-carbaldehyde
Molecular FormulaC5H4OS
Molecular Weight112.15
XLogP1
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
C1=CSC=C1C=O
InChI
InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
InChIKey
RBIGKSZIQCTIJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Thiophenecarboxaldehyde
CAS: 498-62-4
CID: 68135
Formula: C5H4OS
MW: 112.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight112.15
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass111.99828592
Monoisotopic Mass111.99828592
Topological Polar Surface Area45.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.5
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