AG003J5R

23418-85-1 | But-3-yn-1-yl 4-methylbenzenesulfonate

AG003J5R

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CAS Number	23418-85-1
Catalog Number	AG003J5R(AGN-PC-0O83LW)
Chemical Name	But-3-yn-1-yl 4-methylbenzenesulfonate
IUPAC Name	but-3-ynyl 4-methylbenzenesulfonate
InChI	InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3
InChI Key	STOASOOVVADOKH-UHFFFAOYSA-N
MDL Number	MFCD00041687
Molecular Formula	C11H12O3S
Molecular Weight	224.2762
NSC Number	116062
SMILES	O=S(C1=CC=C(C)C=C1)(OCCC#C)=O
Synonyms	23418-85-1, 3-Butynyl p-toluenesulfonate, but-3-yn-1-yl 4-methylbenzenesulfonate, 3-butynyl tosylate, but-3-ynyl 4-methylbenzenesulfonate, 3-butynyl 4-toluenesulfonate, 3-butynyl 4-methylbenzenesulfonate, 3-(1-butynyl)-4-toluenesulphonate, p-Toluenesulfonic Acid 3-Butynyl Ester, 3-butynyl p-toluenesulphonate, 3-Butynyl p-toluenesulfonate, 96%, MFCD00041687, NSC116062, but-3-ynyl tosylate, 4-tosyloxy-1-butyne, ACMC-1CGFQ, AC1Q2LQX, AC1Q6Y8B, 3-butynyl-p-toluenesulfonate, but-3-ynyl-p-toluenesulfonate, SCHEMBL312901, AC1L6R73, CTK8B1263, DTXSID30297461, STOASOOVVADOKH-UHFFFAOYSA-N, 4(4-Toluenesulfonyloxy)-1-butyne, ZINC1705574, ZX-AT011526, 4-(4-Toluenesulfonyloxy)-1-butyne, 1558AB, AB2758, ANW-25119, BBL101862, SBB008912, STL555659, AKOS005067827, CB-3188, FCH1680005, FS-3991, MCULE-8262453920, NSC-116062, VF10281, ACM23418851, AJ-30607, AK116231, BBV-45064923, BC685831, CJ-28827, SC-45994, ST097014, toluene-4-sulfonic acid but-3-ynyl ester, TZ001024, AB0085760, AB1005602, AX8013139, TR-010882, but-3-yn-1-yl 4-methylbenzene-1-sulfonate, FT-0615276, ST24030218, 3-Butyn-1-ol, 1-(4-methylbenzenesulfonate), X-3990, 418B851, I01-8434, null, C11H12O3S, AR-1F2395, CID272020, T2046, 23513-08-8,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.274g/mol
Monoisotopic Mass	224.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number