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123-81-9 | Acetic acid, 2-mercapto-, 1,1'-(1,2-ethanediyl) ester
CAS No: 123-81-9 Catalog No: AG000JXU MDL No:MFCD00004875
Product Description
Catalog Number:
AG000JXU
Chemical Name:
Acetic acid, 2-mercapto-, 1,1'-(1,2-ethanediyl) ester
CAS Number:
123-81-9
Molecular Formula:
C6H14O6S2
Molecular Weight:
246.3018
MDL Number:
MFCD00004875
IUPAC Name:
2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
InChI:
InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2
InChI Key:
PSYGHMBJXWRQFD-UHFFFAOYSA-N
SMILES:
SCC(=O)O.SCC(=O)O.OCCO
EC Number:
204-653-4
NSC Number:
30032
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.262g/mol
Monoisotopic Mass:
210.002g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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