AG008RA4

1074-68-6 | 2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE

AG008RA4

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CAS Number	1074-68-6
Catalog Number	AG008RA4(AGN-PC-00P58W)
Chemical Name	2-METHYLSULFANYL-PYRIMIDINE-4-CARBALDEHYDE
IUPAC Name	2-methylsulfanylpyrimidine-4-carbaldehyde
InChI	InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChI Key	QGJXHPACBLAFFJ-UHFFFAOYSA-N
MDL Number	MFCD02683211
Molecular Formula	C6H6N2OS
Molecular Weight	154.1896
SMILES	CSC1=NC=CC(=N1)C=O
Synonyms	1074-68-6, 2-Methylsulfanylpyrimidine-4-carbaldehyde, 2-(methylthio)pyrimidine-4-carbaldehyde, 2-Methylsulfanyl-pyrimidine-4-carbaldehyde, 2-(methylsulfanyl)pyrimidine-4-carbaldehyde, AK-23649, AR-527/43405034, MFCD02683211, SCHEMBL1879639, CTK4A5448, DTXSID30572487, QGJXHPACBLAFFJ-UHFFFAOYSA-N, 4-formyl-2-(methylthio)pyrimidine, ZINC2583498, 2-methylthiopyrimidine-4-carbaldehyde, ANW-51640, FCH922501, SBB065716, AKOS006343307, CS-W019765, PB17294, RP21860, 2-methylsulfanyl-pyrimidin-4-carbaldehyde, AJ-43243, AN-48431, BR-23649, CJ-10302, SC-45236, 2-Methylthio-4-pyrimidine carboxzyaldehyde, 2-(methylsulfanyl)-4-pyrimidinecarbaldehyde, 4-Pyrimidinecarboxaldehyde,2-(methylthio)-, AB0034652, AX8041149, DB-010220, ST2417114, TC-063386, TL8000261, 4-Pyrimidinecarboxaldehyde, 2-(methylthio)-, 4CH-013951, C2718, FT-0083343, FT-0647796, X8840, 2-(METHYLTHIO)-4-PYRIMIDINECARBALDEHYDE, S-5323, 074M686, 2-(METHYLTHIO)-4-PYRIMIDINECARBOXALDEHYDE, I03-0333, J-510107, S03-0156, C6H6N2OS, 2-Methylthiopyrimidine-4-carboxaldehyde, ACN-027088, A2079, 2-(METHYLTHIO)PYRIMIDINE-4-CARBOXALDEHYDE, 2-Chloro-N-[1-(2-chloro-phenyl)-2-oxo-cyclohexyl]-N-methyl-acetamide,

Complexity	120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.187g/mol
Monoisotopic Mass	154.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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