Home Carboxys 5-(4-(tert-Butyl)phenyl)-4-methylthiophene-2-carboxylic acid

5-(4-(tert-Butyl)phenyl)-4-methylthiophene-2-carboxylic acid

CAS No.:
861432-72-6
Catalog Number:
AG00JESX
Molecular Formula:
C16H18O2S
Molecular Weight:
274.3779
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$232
- +
1g
1 week
United States
$420
- +
Product Description
Catalog Number:
AG00JESX
Chemical Name:
5-(4-(tert-Butyl)phenyl)-4-methylthiophene-2-carboxylic acid
CAS Number:
861432-72-6
Molecular Formula:
C16H18O2S
Molecular Weight:
274.3779
MDL Number:
MFCD05861676
IUPAC Name:
5-(4-tert-butylphenyl)-4-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C16H18O2S/c1-10-9-13(15(17)18)19-14(10)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3,(H,17,18)
InChI Key:
PPOWKZVFZODKAT-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1c1ccc(cc1)C(C)(C)C)C(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.103g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.378g/mol
Monoisotopic Mass:
274.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties