AG007WTY

1517-82-4 | (1S)-2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate

AG007WTY

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CAS Number	1517-82-4
Catalog Number	AG007WTY(AGN-PC-0Q67A5)
Chemical Name	(1S)-2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate
IUPAC Name	[(1S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
InChI	InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14?,16?,17-,20?/m0/s1
InChI Key	NQICGNSARVCSGJ-UPSPKRPTSA-N
MDL Number	MFCD00010192
Molecular Formula	C17H26O2S
Molecular Weight	294.4521
SMILES	CC1=CC=C([S@](O[C@H]2[C@H]([C@@H](C)C)CC[C@@H](C)C2)=O)C=C1
Synonyms	(1S)-2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate, 1517-82-4, (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, AK-81445, CTK8B7508, ANW-57505, AKOS016001554, SC-01293, AX8043740, TR-006241, (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, 97% - 1G 1g,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	294.165g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	294.453g/mol
Monoisotopic Mass	294.165g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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