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88101-65-9 | 1,3-Dithiolane-4-methanol, 2-hexyl-, acetate, cis-
CAS No: 88101-65-9 Catalog No: AG004G7O MDL No:
Product Description
Catalog Number:
AG004G7O
Chemical Name:
1,3-Dithiolane-4-methanol, 2-hexyl-, acetate, cis-
CAS Number:
88101-65-9
Molecular Formula:
C12H24O3S2
Molecular Weight:
280.4472
IUPAC Name:
acetic acid;[(2R,4S)-2-hexyl-1,3-dithiolan-4-yl]methanol
InChI:
InChI=1S/C10H20OS2.C2H4O2/c1-2-3-4-5-6-10-12-8-9(7-11)13-10;1-2(3)4/h9-11H,2-8H2,1H3;1H3,(H,3,4)/t9-,10+;/m0./s1
InChI Key:
GCRPOTMXPUBLFI-BAUSSPIASA-N
SMILES:
CC(=O)O.CCCCCC[C@@H]1SC[C@@H](S1)CO
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.441g/mol
Monoisotopic Mass:
280.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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