AG003Q9K

959070-42-9 | Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

AG003Q9K

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CAS Number	959070-42-9
Catalog Number	AG003Q9K(AGN-PC-0JSHF0)
Chemical Name	Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate
IUPAC Name	ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate
InChI	InChI=1S/C8H8Cl2N2O2S/c1-3-14-7(13)4-5(9)11-8(15-2)12-6(4)10/h3H2,1-2H3
InChI Key	HXNWMDJXIPNHBK-UHFFFAOYSA-N
MDL Number	MFCD12828684
Molecular Formula	C8H8Cl2N2O2S
Molecular Weight	267.1323
SMILES	ClC1=NC(=NC(=C1C(=O)OCC)Cl)SC
Synonyms	ETHYL 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE, 959070-42-9, HXNWMDJXIPNHBK-UHFFFAOYSA-N, ethyl 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylate, AC1LBDOM, C8H8Cl2N2O2S, SCHEMBL537829, CTK6F5334, KS-00000DYD, DTXSID60336438, 6574AC, ANW-63406, KM3381, MFCD12828684, ZINC32182136, AKOS015892474, Pyrimidine-5-carboxylic acid, 4,6-dichloro-2-(methylthio)-, ethyl ester, CS-W003838, QC-9669, TRA0069903, AJ-84910, AK-82571, AS-33260, SY006098, AB0055858, AB1000677, AX8173786, DB-017928, TC-152151, FT-0717660, MFCD12828684 (97+%), I03-0740, ethyl 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylate, Ethyl4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylate, 4,6-dichloro-2-(methylthio)-5-Pyrimidinecarboxylic acid ethyl ester, Ethyl 4,6-dichloro-2-(methylsulfanyl)-5-pyrimidinecarboxylate #, null, CID533817,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	267.124g/mol
Monoisotopic Mass	265.968g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	77.4A^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

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