AG0020NG

175205-07-9 | 4-Hydroxy-6-methoxymethylpyrimidine-2-thiol

AG0020NG

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CAS Number	175205-07-9
Catalog Number	AG0020NG(AGN-PC-0QAR8S)
Chemical Name	4-Hydroxy-6-methoxymethylpyrimidine-2-thiol
IUPAC Name	6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChI	InChI=1S/C6H8N2O2S/c1-10-3-4-2-5(9)8-6(11)7-4/h2H,3H2,1H3,(H2,7,8,9,11)
InChI Key	YNVMVIUSRGXSEN-UHFFFAOYSA-N
MDL Number	MFCD00052620
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
SMILES	SC1=NC(COC)=CC(O)=N1
Synonyms	175205-07-9, 2-mercapto-6-(methoxymethyl)pyrimidin-4-ol, 4-Hydroxy-6-methoxymethylpyrimidine-2-thiol, 6-(Methoxymethyl)-2-sulfanyl-4-pyrimidinol, 6-(methoxymethyl)-2-sulfanylpyrimidin-4-ol, 6-Methoxymethyl-2-thiouracil, MLS000587792, MFCD00052620, 6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one, SMR000211746, 2-Mercapto-6-methoxymethyl-pyrimidin-4-ol, 4(1H)-Pyrimidinone,2,3-dihydro-6-(methoxymethyl)-2-thioxo-, 6-(methoxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, methoxymethylsulfanylpyrimidinol, PubChem6920, AC1LE1KN, Maybridge1_006870, ACMC-1CHU1, cid_704896, CHEMBL1331954, BDBM87856, CTK4D5654, HMS561A06, KS-00001VLN, DTXSID10351611, HMS2514G19, HMS3378O03, ALBB-005080, ZX-AN005021, ZX-AT022465, 5779AD, CCG-52052, FCH916717, SBB047653, STK129924, ZINC17950920, AKOS002682446, AKOS026714460, 3M-544S, MCULE-6663374656, RP10558, VZ24831, 6-Methoxymethyl-2-thiouracil, AldrichCPR, ACM175205079, CC-11132, HC210063, SC-01772, DB-044138, TC-168788, 2-Mercapto-6-(methoxymethyl)pyrimidine-4-ol, CS-0078672, FT-0612751, ST50708715, Y-8688, 6-(methoxymethyl)-2-thioxo-1H-pyrimidin-4-one, A811928, C-05573, I03-0266, J-509774, SR-01000641308-1, F1967-3712, 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, 6-(methoxymethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, C6H8N2O2S, CID704896, ZINC05176442,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	82.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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