AG003F50

40412-06-4 | 2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate

AG003F50

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CAS Number	40412-06-4
Catalog Number	AG003F50(AGN-PC-0D5UGR)
Chemical Name	2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate
EC Number	254-911-5
IUPAC Name	2-thiophen-2-ylethyl 4-methylbenzenesulfonate
InChI	InChI=1S/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3
InChI Key	HLPRKWVEMYDPAU-UHFFFAOYSA-N
MDL Number	MFCD05150366
Molecular Formula	C13H14O3S2
Molecular Weight	282.3785
SMILES	O=S(C1=CC=C(C)C=C1)(OCCC2=CC=CS2)=O
Synonyms	40412-06-4, 2-(Thiophen-2-yl)ethyl 4-methylbenzenesulfonate, 2-(2-THIENYL)ETHYL 4-METHYLBENZENESULFONATE, 2-(2-Thienyl)ethyl toluene-p-sulphonate, Toluene-4-sulfonic acid 2-thiophen-2-yl-ethyl ester, p-Toluenesulfonic Acid 2-(2-Thienyl)ethyl Ester, toluene-4-sulphonic acid-2-thiophen-2-yl-ethyl ester, EINECS 254-911-5, 2-Thiopheneethanol Tosylate, C13H14O3S2, 2-(2-thienyl, AC1MVEKR, PubChem18282, 2-Thiopheneethanol, 2-(4-methylbenzenesulfonate), 2-Thiophene Ethanol Tosylate, 2-(2-Thienyl)ethyl Tosylate, SCHEMBL1418052, THI076, CTK1D7732, 2-(2-Thiophene)ethanol Tosylate, DTXSID80193429, HLPRKWVEMYDPAU-UHFFFAOYSA-N, BCP22702, CS-M1300, ZINC2541800, 2-Thiopheneethanol p-Toluenesulfonate, ANW-45531, Chemical intermediate for Clopidogrel, CT0066, MFCD05150366, AKOS015998847, 2-(2-Thienyl)ethyl p-Toluenesulfonate, MCULE-4587423926, TRA0053184, 2-(2-Thienyl)ethyltoluene-p-sulphonate, KS-00000I57, 2-(2-Thienyl)ethyl Toluene-p-sulfonate, 2-(2-Thienyl)ethyl-4-toluene sulfonate, 2-(2-thienyl)ethyl?toluene-p-sulphonate, 2-(2-thienyl)ethyl paratoluene sulfonate, AC-23325, AJ-39221, AK-59617, AS-17867, BC678215, SC-27021, 2-(2-thienyl)-ethyl para-toluenesulfonate, 2-(2-thienyl)-ethyl paratoluene sulfonate, 2-[2-(4-toluenesulfonyloxy)ethyl]thiophene, AB0021075, DB-014097, ST2404078, TX-018024, FT-0659609, V2251, 2-(Thien-2-yl)ethyl 4-Methylbenzenesulfonate, 2-thiophen-2-ylethyl 4-methylbenzenesulfonate, [2-(2-thienyl)ethyl] 4-methylbenzenesulfonate, A25004, M-1370, 2-Thiopheneethanol 2-(4-Methylbenzenesulfonate), 412T064, 2-(thiophen-2-yl)ethyl 4-methylbenzene-1-sulfonate, W-110931, 4-Methylbenzenesulfonic acid 2-(2-thienyl)ethyl ester;2-(2-Thienyl)ethyl 4-methylbenzenesulfonate;2-Thiopheneethanol Tosylate;2-(thiophen-2-yl)ethyl 4-methylbenzenesulfonate, C13-H14-O3-S2, ACN-028874, CID3682034, CS-O-31554, 2-(2-thienyl)ethyl-4-methylbenzenesulfonate, T3064, 2-(2-thienyl)ethyl-4-methyl benzene sulfonate,

Complexity	340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.038g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	282.372g/mol
Monoisotopic Mass	282.038g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	80A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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