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169191-81-5 | Cyclohexanethiol, 2-(4-morpholinyl)-, trans- (9CI)
CAS No: 169191-81-5 Catalog No: AG001YJS MDL No:
Product Description
Catalog Number:
AG001YJS
Chemical Name:
Cyclohexanethiol, 2-(4-morpholinyl)-, trans- (9CI)
CAS Number:
169191-81-5
Molecular Formula:
C10H19NOS
Molecular Weight:
201.3290
IUPAC Name:
(1R,2R)-2-morpholin-4-ylcyclohexane-1-thiol
InChI:
InChI=1S/C10H19NOS/c13-10-4-2-1-3-9(10)11-5-7-12-8-6-11/h9-10,13H,1-8H2/t9-,10-/m1/s1
InChI Key:
RNTJXKXDVNMADI-NXEZZACHSA-N
SMILES:
S[C@@H]1CCCC[C@H]1N1CCOCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
201.119g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.328g/mol
Monoisotopic Mass:
201.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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