Home Carboxys 5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid

5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid

CAS No.:
870703-97-2
Catalog Number:
AG004GIA
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 98% (HPLC)
1 week
United States
$106
- +
1g
≥ 98% (HPLC)
1 week
United States
$167
- +
5g
≥ 98% (HPLC)
1 week
United States
$477
- +
Product Description
Catalog Number:
AG004GIA
Chemical Name:
5-[4-(Methylthio)phenyl]thiophene-2-carboxylic acid
CAS Number:
870703-97-2
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
MDL Number:
MFCD06801936
IUPAC Name:
5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H10O2S2/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
XESWRPZAGPHDST-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc(s1)C(=O)O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.33g/mol
Monoisotopic Mass:
250.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties