AG00BZJ2

38275-41-1 | Methyl 2-(methylthio)pyrimidine-5-carboxylate

AG00BZJ2

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CAS Number	38275-41-1
Catalog Number	AG00BZJ2(AGN-PC-0NHGEX)
Chemical Name	Methyl 2-(methylthio)pyrimidine-5-carboxylate
IUPAC Name	methyl 2-methylsulfanylpyrimidine-5-carboxylate
InChI	InChI=1S/C7H8N2O2S/c1-11-6(10)5-3-8-7(12-2)9-4-5/h3-4H,1-2H3
InChI Key	PSYRMEZGAWNWHV-UHFFFAOYSA-N
MDL Number	MFCD00194932
Molecular Formula	C7H8N2O2S
Molecular Weight	184.2156
SMILES	COC(=O)C1=CN=C(SC)N=C1
Synonyms	Methyl 2-(Methylthio)pyrimidine-5-carboxylate, 38275-41-1, Methyl 2-(methylsulfanyl)pyrimidine-5-carboxylate, Methyl 2-methylthiopyrimidine-5-carboxylate, C7H8N2O2S, AK-29983, MFCD00194932, Methyl 2-methylthio-5-pyrimidinearboxylate, Methyl2-(methylthio)pyrimidine-5-carboxylate, Methyl 2-methylsulfanylpyrimidine-5-carboxylate, SCHEMBL2221944, CTK4H9608, DTXSID70458296, PSYRMEZGAWNWHV-UHFFFAOYSA-N, KS-000029RG, ZX-AT005209, ANW-56223, BBL102562, FCH920641, OR8662, SBB053952, STL556365, ZINC12370893, AKOS006345459, CM-1177, MCULE-9801619718, NE-0705, PB24623, RP03357, AJ-61903, SC-11736, AB0041223, AX8138034, TR-015481, AM20100017, CS-0053796, FT-0646164, Y8939, methyl-2-(methylthio)pyrimidine-5-carboxylate, A18711, Q-1658, 275M411, Methyl 2-(methylsulphanyl)pyrimidine-5-carboxylate, METHYL 2-METHYLTHIO-5-PYRIMIDINECARBOXYLATE, Methyl 2-methylthiopyrimidine-5-carboxylate, 97%, I03-1276, J-521874, Methyl 2-(methylthio)pyrimidine-5-carboxylate, 97%, 2-thiomethylpyrimidine-5-carboxylic acid methyl ester, 2-(Methylthio)pyrimidine-5-carboxylic acid methyl ester, 2-Methylsulfanyl-pyrimidine-5-carboxylicacid methyl ester, 2-Methylsulfanylpyrimidine-5-carboxylic acid methyl ester, 2-methylsulfanyl-pyrimidine-5-carboxylic acid methyl ester, 5-Pyrimidinecarboxylicacid, 2-(methylthio)-, methyl ester, 5-PYRIMIDINECARBOXYLIC ACID, 2-(METHYLTHIO)-, METHYL ESTER, 4-Chloro-6-bromoquinazoline, Methyl2- pyrimidine-5-carboxylate, CID11194721, 2-METHYLTHIO-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER, methyl 2-(methylthio)pyrimidine-5-carboxylate, 95% - 1G 1g,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.213g/mol
Monoisotopic Mass	184.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 3335

Certificate of Analysis

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