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13700-15-7 | Acetic acid, [(methylsulfonyl)thio]-
CAS No: 13700-15-7 Catalog No: AG0012OY MDL No:MFCD04116128
Product Description
Catalog Number:
AG0012OY
Chemical Name:
Acetic acid, [(methylsulfonyl)thio]-
CAS Number:
13700-15-7
Molecular Formula:
C3H6O4S2
Molecular Weight:
170.2073
MDL Number:
MFCD04116128
IUPAC Name:
2-methylsulfonylsulfanylacetic acid
InChI:
InChI=1S/C3H6O4S2/c1-9(6,7)8-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key:
ASUZQXBECRATCB-UHFFFAOYSA-N
SMILES:
OC(=O)CSS(=O)(=O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.971g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.197g/mol
Monoisotopic Mass:
169.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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