Home Sulfos 2-(thiophen-2-ylmethanesulfonyl)acetic acid

2-(thiophen-2-ylmethanesulfonyl)acetic acid

CAS No.:
180044-46-6
Catalog Number:
AG019NC0
Molecular Formula:
C7H8O4S2
Molecular Weight:
220.2660
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Product Description
Catalog Number:
AG019NC0
Chemical Name:
2-(thiophen-2-ylmethanesulfonyl)acetic acid
CAS Number:
180044-46-6
Molecular Formula:
C7H8O4S2
Molecular Weight:
220.2660
MDL Number:
MFCD08444899
IUPAC Name:
2-(thiophen-2-ylmethylsulfonyl)acetic acid
InChI:
InChI=1S/C7H8O4S2/c8-7(9)5-13(10,11)4-6-2-1-3-12-6/h1-3H,4-5H2,(H,8,9)
InChI Key:
QIEJAIPLZDLEOB-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)Cc1cccs1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.986g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.257g/mol
Monoisotopic Mass:
219.986g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties