Home Other Building Blocks 2-(3,5-dimethylthiophen-2-yl)acetic acid

2-(3,5-dimethylthiophen-2-yl)acetic acid

CAS No.:
222553-93-7
Catalog Number:
AG01BTL5
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BTL5
Chemical Name:
2-(3,5-dimethylthiophen-2-yl)acetic acid
CAS Number:
222553-93-7
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD20659625
IUPAC Name:
2-(3,5-dimethylthiophen-2-yl)acetic acid
InChI:
InChI=1S/C8H10O2S/c1-5-3-6(2)11-7(5)4-8(9)10/h3H,4H2,1-2H3,(H,9,10)
InChI Key:
JHWOGQXJVAHIFI-UHFFFAOYSA-N
SMILES:
Cc1cc(sc1CC(=O)O)C
Properties
Complexity:
158  
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:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties