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14950-43-7 | Cyclohexanol, 2-(1,3-dithian-2-yl)-, trans- (9CI)
CAS No: 14950-43-7 Catalog No: AG001LRK MDL No:
Product Description
Catalog Number:
AG001LRK
Chemical Name:
Cyclohexanol, 2-(1,3-dithian-2-yl)-, trans- (9CI)
CAS Number:
14950-43-7
Molecular Formula:
C10H18OS2
Molecular Weight:
218.3793
IUPAC Name:
(1R,2R)-2-(1,3-dithian-2-yl)cyclohexan-1-ol
InChI:
InChI=1S/C10H18OS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h8-11H,1-7H2/t8-,9-/m1/s1
InChI Key:
VLSOAPOHTFRDKB-RKDXNWHRSA-N
SMILES:
O[C@@H]1CCCC[C@H]1C1SCCCS1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.373g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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