AG003B0C

5469-66-9 | Propane-1,3-diyl bis(4-methylbenzenesulfonate)

AG003B0C

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CAS Number	5469-66-9
Catalog Number	AG003B0C(AGN-PC-0SHTFO)
Chemical Name	Propane-1,3-diyl bis(4-methylbenzenesulfonate)
EC Number	611-186-3
IUPAC Name	3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate
InChI	InChI=1S/C17H20O6S2/c1-14-4-8-16(9-5-14)24(18,19)22-12-3-13-23-25(20,21)17-10-6-15(2)7-11-17/h4-11H,3,12-13H2,1-2H3
InChI Key	ODVREDGIWSDQFD-UHFFFAOYSA-N
MDL Number	MFCD00013392
Molecular Formula	C17H20O6S2
Molecular Weight	384.4671
NSC Number	25205
SMILES	O=S(C1=CC=C(C)C=C1)(OCCCOS(C2=CC=C(C)C=C2)(=O)=O)=O
Synonyms	5469-66-9, propane-1,3-diyl bis(4-methylbenzenesulfonate), 1,3-Bis(tosyloxy)propane, 1,3-Propanediol di-p-toluenesulfonate, 1,3-Propanediol-di-4-tosylate, 1,3-Propanediol di-p-tosylate, MFCD00013392, ODVREDGIWSDQFD-UHFFFAOYSA-N, 1,3-Bis(p-toluenesulfonyloxy)propane, AK114722, 3-[(4-methylbenzenesulfonyl)oxy]propyl 4-methylbenzene-1-sulfonate, NSC25205, propane-1,3-di-Tos, ACMC-209liv, AC1L5JDK, AC1Q6YB5, 1,3-(Di-p-tosyl)propane, 1,3-Propanediol Ditosylate, SCHEMBL483847, Trimethylene Glycol Ditosylate, CTK5A2316, DTXSID10282254, Trimethylene glycol di-p-tosylate, C17H20O6S2, ZINC1621818, 1,3-di(p-toluenesulfonyloxy)propane, 7939AB, ANW-32165, NSC-25205, STL090849, AKOS000276687, 1,3-Propanediol di-p-tosylate, 98%, 1,3-propanediyl di-p-toluenesulphonate, FCH2706099, LS41691, MCULE-2752299504, VZ20612, KS-000010P4, AS-10566, BP-23628, CC-03207, AX8054302, ST2419803, TC-120910, Trimethylene Glycol Bis(p-toluenesulfonate), FT-0635749, ST50409203, 1,3-propanediol bis(4-methylbenzenesulfonate), propane-1.3-diyl bis(4-methylbenzenesulfonate), C-21406, 1,3-Propanediol,1,3-bis(4-methylbenzenesulfonate), I14-46792, Z56755923, 3-(4-methylphenyl)sulfonyloxypropyl 4-methylbenzenesulfonate, 3-[(4-methylphenyl)sulfonyloxy]propyl 4-methylbenzenesulfonate, 3-([(4-Methylphenyl)sulfonyl]oxy)propyl 4-methylbenzenesulfonate #, 3-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methyl-1-benzenesulfonate, 1,3-bis(toluenesulfonyloxy)propane, AR-1L2156, CID230370, 1,3-PROPANEDIOLDI-P-TOLUENESULFONATE, B1875, propane-1,3-diylbis(4-methylbenzenesulfonate), 1,3-Propanediol di-p-tosylate, 98% - 25G 25g, 6329-36-8,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	384.07g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	384.461g/mol
Monoisotopic Mass	384.07g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number