Home Sulfos Hexanoic acid, 6-[(methylsulfonyl)thio]-

Hexanoic acid, 6-[(methylsulfonyl)thio]-

CAS No.:
76078-72-3
Catalog Number:
AG005SBL
Molecular Formula:
C7H14O4S2
Molecular Weight:
226.3137
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Product Description
Catalog Number:
AG005SBL
Chemical Name:
Hexanoic acid, 6-[(methylsulfonyl)thio]-
CAS Number:
76078-72-3
Molecular Formula:
C7H14O4S2
Molecular Weight:
226.3137
MDL Number:
MFCD18379550
IUPAC Name:
6-methylsulfonylsulfanylhexanoic acid
InChI:
InChI=1S/C7H14O4S2/c1-13(10,11)12-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9)
InChI Key:
FELVFSYUZJCULW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCSS(=O)(=O)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.305g/mol
Monoisotopic Mass:
226.033g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties