AG003UOU

58909-39-0 | 2-Methyl-3-thioxo-1,2,4-triazinane-5,6-dione

AG003UOU

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CAS Number	58909-39-0
Catalog Number	AG003UOU(AGN-PC-0KO70C)
Chemical Name	2-Methyl-3-thioxo-1,2,4-triazinane-5,6-dione
EC Number	261-490-1
IUPAC Name	2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione
InChI	InChI=1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)
InChI Key	UMWWHOXOVPIGFD-UHFFFAOYSA-N
MDL Number	MFCD00185756
Molecular Formula	C4H5N3O2S
Molecular Weight	159.1664
SMILES	O=c1c(=O)[nH]n(c(=S)[nH]1)C
UNII	679WF9Q9W1
Synonyms	Thiotriazinone, 58909-39-0, Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione, 2-methyl-3-thioxo-1,2,4-triazinane-5,6-dione, 1,2,4-Triazin-2-methyl-6-hydroxy-3-thio-5-one, UNII-679WF9Q9W1, 2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione, 679WF9Q9W1, MFCD00185756, 1,2,4-Triazine-2-methyl-6-hydroxy-3-thio-5-one, 1,2,4-Triazine-5,6-dione, tetrahydro-2-methyl-3-thioxo-, 6-hydroxy-3-mercapto-2-methyl-1,2,4-triazin-5(2H)-one, 2,5-Dihydro-6-Hydroxy-3-Mercapto-2-Methyl-5-Oxo-1,2,4-Triazine, EINECS 261-490-1, ACMC-20ajjm, Ceftriaxone Impurity C, AC1MHXXV, KSC269G8J, MLS006010407, SCHEMBL4608486, CTK1G9384, DTXSID60207654, UMWWHOXOVPIGFD-UHFFFAOYSA-N, 2,5-dihydro-6-hydroxy-2-methyl-3-mercapto-5-oxo-1,2,3-triazine, ZINC16696639, AKOS006228121, AKOS015961510, AKOS025312531, ACN-045412, AN-6946, MCULE-7588171087, RP17382, KS-000010T7, Ro 11-8390, AC-13903, AS-11758, SMR004701407, AB0010686, RT-004396, FT-0610373, ST50824728, EN300-92093, 09T390, 909T390, SR-01000944806, 2-methyl-3-sulfanyl-1H-1,2,4-triazine-5,6-dione, J-509964, SR-01000944806-1, 2-methyl-3-sulfanylidene-1,2,4-triazinane-5,6-dione, 2-methyl-3-thioxo-1,2,4-triazaperhydroine-5,6-dione, 3-Mercapto-2-methyl-5-oxo-6-hydroxy-1,2,4-triazine, 6-hydroxy-3-mercapto-2-methyl-5-oxo-1,2,4-triazine, BRD-K15365721-001-01-1, 2-Methyl-3-mercapto-1,2,4-triazine-5,6(1H,2H)-dione, Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione, 97%, 1,2,3,4-Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5,6-dione, 1,2,3,4-Tetrahydro-2-methyl-3-thioxo-1,2,4-triazine-5.6-dione, 2,5-Dihydro-6-hydroxy-2-methyl-3-mercapto-5-oxo-1,2,4-triazione, 2-methyl-3-mercapto-5-oxo-6-hydroxy-2,5-dihydro-1,2,4-triazine, 2-methyl-3-mercapto-6-hydroxy-2,5-dihydro-1,2,4-triazin-5-one, 2-methyl-3-sulfanyl-1,2,5,6-tetrahydro-1,2,4-triazine-5,6-dione, 2-Methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazine-3-thiol, 6-hydroxy-2-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, C4H5N3O2S, C4-H5-N3-O2-S, Thiotriazinone, 98% - 25G 25g, ZINC02556294, CID3034640, CS-T-62035, 3-(difluoromethoxy)-4-methylbenzenamine, M-3030,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.01g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	159.163g/mol
Monoisotopic Mass	159.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	93.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number