sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-(2-Thienyl)butyric acid

4-(2-Thienyl)butyric acid

CAS No.:
4653-11-6
Catalog Number:
AG0033SR
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$14
- +
5g
97%
In Stock USA
United States
$57
- +
25g
97%
In Stock USA
United States
$225
- +
100g
97%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG0033SR
Chemical Name:
4-(2-Thienyl)butyric acid
CAS Number:
4653-11-6
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD00005463
IUPAC Name:
4-thiophen-2-ylbutanoic acid
InChI:
InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
InChI Key:
VYTXLSQVYGNWLV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1cccs1
EC Number:
225-090-0
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Antibodies directed to drug epitopes to investigate the structure of drug-protein photoadducts. Recognition of a common photobound substructure in tiaprofenic acid/ketoprofen cross-photoreactivity. Chemical research in toxicology 20011101
Properties