AG005JU0

81560-03-4 | 5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one

AG005JU0

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CAS Number	81560-03-4
Catalog Number	AG005JU0(AGN-PC-0OIKHL)
Chemical Name	5-bromo-2-methylsulfanyl-3H-pyrimidin-4-one
IUPAC Name	5-bromo-2-methylsulfanyl-1H-pyrimidin-6-one
InChI	InChI=1S/C5H5BrN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)
InChI Key	BKWWYXOEVKZFDA-UHFFFAOYSA-N
MDL Number	MFCD00848141
Molecular Formula	C5H5BrN2OS
Molecular Weight	221.0750
NSC Number	46962
SMILES	O=C1NC(SC)=NC=C1Br
Synonyms	81560-03-4, 5-Bromo-2-(methylthio)pyrimidin-4(3H)-one, 5-Bromo-2-methylsulfanylpyrimidin-4-ol, 5-bromo-2-(methylsulfanyl)-4(1H)-pyrimidinone, 5-bromo-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one, 5-bromo-2-(methylsulfanyl)pyrimidin-4-ol, 5-Bromo-2-methylsulfanyl-3H-pyrimidin-4-one, 2-Methylsulfanyl-5-bromopyrimidin-4-one, 5-bromo-2-(methylthio)-4(3H)-Pyrimidinone, 5-Bromo-2-(methylthio)pyrimidin-4(1H)-one, 4(3H)-Pyrimidinone,5-bromo-2-(methylthio)-, NSC46962, 5-bromo-2-(methylthio)pyrimidin-4-ol, AC1L65GU, AC1Q4H4U, 5-Bromo-2-(methylsulfanyl)pyrimidin-4(3H)-one, 5-Brom-2-methyl-thio-uracil, SCHEMBL2072718, CTK5E8903, DTXSID00286660, BKWWYXOEVKZFDA-UHFFFAOYSA-N, ZINC6995909, ANW-56288, MFCD00223721, NSC-46962, AKOS015852604, AKOS016001023, AKOS022688800, 5-bromo-2-(methylthio)-4-pyrimidinol, CS-W022302, FCH1330897, GS-5848, MCULE-3439990803, PB18514, RP08429, KS-000003D4, AJ-57066, AK-24659, AM804373, AB1011659, DB-075773, TC-068305, 5-bromo-2-(methylthio)-1H-pyrimidin-6-one, FT-0648723, Z2595, 5-bromo-2-methylsulfanyl-1H-pyrimidin-6-one, 4(3H)-Pyrimidinone, 5-bromo-2-(methylthio)-, 5-Bromo-2-(methylthio);pyrimidin-4(3H);-one, C-8710, 5-bromanyl-2-methylsulfanyl-1H-pyrimidin-6-one, A840160, AE-534/30057046, J-516979, 5-Bromo-2-methylsulfanyl-3H-pyrimidin-4-one; 5-Bromo-2-methylsulfanylpyrimidin-4-ol, C5H5BrN2OS, CID240565, 204513-62-2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.931g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.072g/mol
Monoisotopic Mass	219.931g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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