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80981-48-2 | OCTAMETHYLENE BIS(METHANETHIOSULFONATE)
CAS No: 80981-48-2 Catalog No: AG005HUR MDL No:
Product Description
Catalog Number:
AG005HUR
Chemical Name:
OCTAMETHYLENE BIS(METHANETHIOSULFONATE)
CAS Number:
80981-48-2
Molecular Formula:
C10H22O4S4
Molecular Weight:
334.5393
IUPAC Name:
methyl-(8-methylsulfonothioyloxyoctoxy)-oxo-sulfanylidene-λ6-sulfane
InChI:
InChI=1S/C10H22O4S4/c1-17(11,15)13-9-7-5-3-4-6-8-10-14-18(2,12)16/h3-10H2,1-2H3
InChI Key:
VVWVLNYCUFMGIO-UHFFFAOYSA-N
SMILES:
CS(=S)(=O)OCCCCCCCCOS(=S)(=O)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.522g/mol
Monoisotopic Mass:
334.04g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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