200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 4653-11-6
4653-11-6 | 4-(2-Thienyl)butyric Acid
CAS No: 4653-11-6 Catalog No: AG0033SR MDL No:MFCD00005463
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.