Home Other Building Blocks 3-Benzothiazol-2-yl-acrylic acid

3-Benzothiazol-2-yl-acrylic acid

CAS No.:
123530-67-6
Catalog Number:
AG000KQ3
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG000KQ3
Chemical Name:
3-Benzothiazol-2-yl-acrylic acid
CAS Number:
123530-67-6
Molecular Formula:
C10H7NO2S
Molecular Weight:
205.2331
MDL Number:
MFCD00498593
IUPAC Name:
(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H,(H,12,13)/b6-5+
InChI Key:
LLWKVCNWFMPGGM-AATRIKPKSA-N
SMILES:
OC(=O)/C=C/c1nc2c(s1)cccc2
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties