AG00C7AR

42783-64-2 | 5-methyl-1,2-dihydropyrimidine-2-thione

AG00C7AR

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CAS Number	42783-64-2
Catalog Number	AG00C7AR(AGN-PC-0WCRAO)
Chemical Name	5-methyl-1,2-dihydropyrimidine-2-thione
IUPAC Name	5-methyl-1H-pyrimidine-2-thione
InChI	InChI=1S/C5H6N2S/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
InChI Key	UDXSIDQGDWMVDD-UHFFFAOYSA-N
MDL Number	MFCD18071469
Molecular Formula	C5H6N2S
Molecular Weight	126.1795
SMILES	S=C1N=CC(C)=CN1
Synonyms	5-methylpyrimidine-2-thiol, 42783-64-2, 5-methylpyrimidine-2(1h)-thione, 5-methyl-1H-pyrimidine-2-thione, 2-Mercapto-5-methylpyrimidine, 5-methyl-1,2-dihydropyrimidine-2-thione, 2(1H)-Pyrimidinethione, 5-methyl-, AC1NASPO, SCHEMBL4760133, SCHEMBL8604935, CTK6C3587, DTXSID40403238, 5-methyl-2(1H)-Pyrimidinethione, ZINC6500512, SBB021424, STK301584, AKOS000306305, MCULE-7373819791, NE12471, AJ-56287, SC-21147, DB-070341, CS-0078742, FT-0739106, ST45061303, Z2992, InChI=1/C5H6N2S/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8, 1007553-38-9, C5H6N2S, CID4432095, N/A,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.025g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.177g/mol
Monoisotopic Mass	126.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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