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26139-15-1 | Methanesulfonothioic acid, S-(2-bromoethyl) ester
CAS No: 26139-15-1 Catalog No: AG002RUJ MDL No:
Product Description
Catalog Number:
AG002RUJ
Chemical Name:
Methanesulfonothioic acid, S-(2-bromoethyl) ester
CAS Number:
26139-15-1
Molecular Formula:
C3H7BrO2S2
Molecular Weight:
219.1205
IUPAC Name:
2-bromoethoxy-methyl-oxo-sulfanylidene-λ6-sulfane
InChI:
InChI=1S/C3H7BrO2S2/c1-8(5,7)6-3-2-4/h2-3H2,1H3
InChI Key:
SYOSUDIYCZIKPT-UHFFFAOYSA-N
SMILES:
BrCCSS(=O)(=O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.907g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.111g/mol
Monoisotopic Mass:
217.907g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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