Products for Research Use Only
RegisterLogin

Dibenzothiophene-2-carboxaldehyde

CAT: 0926-XAA09923Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-XAA09923Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
22099-23-6
MDL Number
MFCD02251670
Smiles
C1=CC=C2C (=C1) C3=C (S2) C=CC (=C3) C=O
Molecular Formula
C13H8OS
Molecular Weight
212.27 g/mol
Controlled
No

Chemical Information

Dibenzo(b,d)thiophene-2-carbaldehyde
CAS Number22099-23-6
PubChem CID641360
IUPAC Namedibenzothiophene-2-carbaldehyde
Molecular FormulaC13H8OS
Molecular Weight212.27
XLogP3.8
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity253
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C=O
InChI
InChI=1S/C13H8OS/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-8H
InChIKey
QFGXAEFJJINHAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dibenzo(b,d)thiophene-2-carbaldehyde
CAS: 22099-23-6
CID: 641360
Formula: C13H8OS
MW: 212.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.27
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass212.02958605
Monoisotopic Mass212.02958605
Topological Polar Surface Area45.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity253
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

Related Products

CatalogName
FD05876-01Dibenzothiophene
FT11831-012-Thiazole carboxaldehyde
FB03355-01Benzofuran-2-carboxaldehyde
FI09933-01Imidazole-2-carboxaldehyde
HAA11168-012'-Methylbiphenyl-2-carboxaldehyde
YDA94891-016-Bromoquinoline-2-carboxaldehyde
RAA744814-Methoxypyridine-2-carboxaldehyde
FF137475-012-Fluoropyridine-5-carboxaldehyde
FCA21876-014-Phenylpyridine-2-carboxaldehyde
FC62217-015-Chlorothiophene-2-carboxaldehyde

Alternative Products

CatalogName
GTR19254450-01Dibenzothiophene-2-carboxaldehyde
TRC-D417345-5GDibenzothiophene-2-ol
B1727-5000Dibenzothiophene

Popular Products