AG0029LU

20462-00-4 | 1,3-Dithiane-2-carboxylic acid, ethyl ester

AG0029LU

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CAS Number	20462-00-4
Catalog Number	AG0029LU(AGN-PC-0JLXI1)
Chemical Name	1,3-Dithiane-2-carboxylic acid, ethyl ester
EC Number	243-838-4
IUPAC Name	ethyl 1,3-dithiane-2-carboxylate
InChI	InChI=1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
InChI Key	ANEDZEVDORCLPM-UHFFFAOYSA-N
MDL Number	MFCD00006657
Molecular Formula	C7H12O2S2
Molecular Weight	192.2990
SMILES	O=C(C1SCCCS1)OCC
Synonyms	Ethyl 1,3-dithiane-2-carboxylate, 20462-00-4, 1,3-Dithiane-2-carboxylic acid ethyl ester, 2-Carboethoxy-1,3-dithiane, Carboethoxy-1,3-dithiane, 1,3-Dithiane-2-carboxylic acid, ethyl ester, ANEDZEVDORCLPM-UHFFFAOYSA-N, MFCD00006657, [1,3]dithiane-2-carboxylic acid ethyl ester, C7H12O2S2, EINECS 243-838-4, PubChem22055, ACMC-1CPB7, AC1L3FZ9, AC1Q64OK, 2-carboethoxy 1,3-dithiane, SCHEMBL113220, 2-ethoxycarbonyl-1,3-dithiane, ethyl 1,3 dithiane carboxylate, Jsp004184, ANEDZEVDORCLPM-UHFFFAOYSA-, CTK4E4287, DTXSID50174427, ethyl 1,3-dithian-2-carboxylate, Ethyl1,3-Dithiane-2-carboxylate, KS-000015PV, ZINC3861665, 0505AB, ANW-24090, AKOS015856659, MCULE-4987840430, VZ20607, AJ-46215, TR-009550, 1,3-Dithiane-2-carboxylicacid, ethyl ester, D1648, FT-0606728, ST50308397, Glyoxylic acid ethyl ester trimethylenemercaptal, 462D004, I09-0291, J-013340, Ethyl 1,3-dithiane-2-carboxylate, technical, >=90% (GC), InChI=1/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3, CID88552, AR-1I1784, C7-H12-O2-S2, ZINC03861665, Ethyl 1,3-dithiane-2-carboxylate, 98% - 1G 1g, 20904-28-3,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.028g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.291g/mol
Monoisotopic Mass	192.028g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 3272

Certificate of Analysis

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