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Home > Other Building Blocks > 88101-61-5
88101-61-5 | 1,3-Dithiolane-4-methanol, 2-octyl-, cis-
CAS No: 88101-61-5 Catalog No: AG004EGF MDL No:
Product Description
Catalog Number:
AG004EGF
Chemical Name:
1,3-Dithiolane-4-methanol, 2-octyl-, cis-
CAS Number:
88101-61-5
Molecular Formula:
C12H24OS2
Molecular Weight:
248.4484
IUPAC Name:
[(2R,4S)-2-octyl-1,3-dithiolan-4-yl]methanol
InChI:
InChI=1S/C12H24OS2/c1-2-3-4-5-6-7-8-12-14-10-11(9-13)15-12/h11-13H,2-10H2,1H3/t11-,12+/m0/s1
InChI Key:
CQBHFGCJUSOUPC-NWDGAFQWSA-N
SMILES:
CCCCCCCC[C@@H]1SC[C@@H](S1)CO
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.443g/mol
Monoisotopic Mass:
248.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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