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127089-67-2 | 1-Dodecanesulfonothioic acid
CAS No: 127089-67-2 Catalog No: AG000WNA MDL No:
Product Description
Catalog Number:
AG000WNA
Chemical Name:
1-Dodecanesulfonothioic acid
CAS Number:
127089-67-2
Molecular Formula:
C12H26O2S2
Molecular Weight:
266.4636
IUPAC Name:
dodecyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
InChI:
InChI=1S/C12H26O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)
InChI Key:
BAFNQIBMGIJLOZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCS(=S)(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.458g/mol
Monoisotopic Mass:
266.137g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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