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2068-24-8 | Acetic acid, 2,2'-[methylenebis(thio)]bis-
CAS No: 2068-24-8 Catalog No: AG002IP9 MDL No:MFCD00021766
Product Description
Catalog Number:
AG002IP9
Chemical Name:
Acetic acid, 2,2'-[methylenebis(thio)]bis-
CAS Number:
2068-24-8
Molecular Formula:
C5H8O4S2
Molecular Weight:
196.2446
MDL Number:
MFCD00021766
IUPAC Name:
2-(carboxymethylsulfanylmethylsulfanyl)acetic acid
InChI:
InChI=1S/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChI Key:
CZEVAMMETWVBOD-UHFFFAOYSA-N
SMILES:
OC(=O)CSCSCC(=O)O
EC Number:
218-189-5
NSC Number:
163488
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.235g/mol
Monoisotopic Mass:
195.986g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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