AG003H60

59965-53-6 | 2-Ethoxy-4-hydroxythiazole-5-carbonitrile

AG003H60

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CAS Number	59965-53-6
Catalog Number	AG003H60(AGN-PC-03BLGR)
Chemical Name	2-Ethoxy-4-hydroxythiazole-5-carbonitrile
IUPAC Name	2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile
InChI	InChI=1S/C6H6N2O2S/c1-2-10-6-8-5(9)4(3-7)11-6/h9H,2H2,1H3
InChI Key	PMGJBSHMCHYQKW-UHFFFAOYSA-N
MDL Number	MFCD21641303
Molecular Formula	C6H6N2O2S
Molecular Weight	170.1890
SMILES	CCOC1=NC(O)=C(S1)C#N
Synonyms	2-Ethoxy-4-hydroxythiazole-5-carbonitrile, 59965-53-6, SCHEMBL11690038, CTK8E1733, KS-00000EIT, PMGJBSHMCHYQKW-UHFFFAOYSA-N, 2-ethoxy-4hydroxy-5-cyano-thiazole, 5535AJ, KM0358, MFCD21641303, ZINC90473319, 5-cyano-4-hydroxy-2-ethoxy-thiazole, AKOS022184111, FCH1566167, TRA0058567, AS-32101, DA-17631, SY018195, AJ-128810, AX8268539, TC-307081, FT-0739865, 2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile, MFCD21641303 (95+%), C6H6N2O2S, 878010-24-3,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.015g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.186g/mol
Monoisotopic Mass	170.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	94.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number