sales@angenesci.com
Login | Register
logo
Structures Search
Home Aldehydes Benzo[b]thiophene-2-carboxaldehyde

Benzo[b]thiophene-2-carboxaldehyde

CAS No.:
3541-37-5
Catalog Number:
AG00C0GU
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$48
- +
10g
96%
In Stock USA
United States
$82
- +
25g
96%
In Stock USA
United States
$188
- +
100g
96%
In Stock USA
United States
$550
- +
Product Description
Catalog Number:
AG00C0GU
Chemical Name:
Benzo[b]thiophene-2-carboxaldehyde
CAS Number:
3541-37-5
Molecular Formula:
C9H6OS
Molecular Weight:
162.2083
MDL Number:
MFCD01075041
IUPAC Name:
1-benzothiophene-2-carbaldehyde
InChI:
InChI=1S/C9H6OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H
InChI Key:
NXSVNPSWARVMAY-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(s1)cccc2
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.206g/mol
Monoisotopic Mass:
162.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Palladium-catalyzed domino C-S coupling/carbonylation reactions: an efficient synthesis of 2-carbonylbenzo[b]thiophene derivatives. Organic letters 20110603
P(PhCH2NCH2CH2)3N catalysis of Mukaiyama aldol reactions of aliphatic, aromatic, and heterocyclic aldehydes and trifluoromethyl phenyl ketone. The Journal of organic chemistry 20091106
(Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected]. Acta crystallographica. Section C, Crystal structure communications 20071201
Novel derivatives of benzo[b]thieno[2,3-c]quinolones: synthesis, photochemical synthesis, and antitumor evaluation. Journal of medicinal chemistry 20031009
Mechanism of reaction of acyl phosph(on)ates with the beta-lactamase of Enterobacter cloacae P99. Biochemistry 20010417
Properties