AG002WAB

28735-21-9 | 1,2,4-Triazine, 3-(methylthio)-

AG002WAB

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CAS Number	28735-21-9
Catalog Number	AG002WAB(AGN-PC-0JOZIM)
Chemical Name	1,2,4-Triazine, 3-(methylthio)-
IUPAC Name	3-methylsulfanyl-1,2,4-triazine
InChI	InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3
InChI Key	NFHGWQLAJYTULJ-UHFFFAOYSA-N
MDL Number	MFCD00490024
Molecular Formula	C4H5N3S
Molecular Weight	127.1676
NSC Number	276290
SMILES	CSC1=NC=CN=N1
Synonyms	28735-21-9, 3-METHYLTHIO-1,2,4-TRIAZINE, 3-(Methylthio)-as-Triazine, 3-(Methylthio)-1,2,4-triazine, 3-(methylsulfanyl)-1,2,4-triazine, 1,2,4-Triazine, 3-(methylthio)-, 3-(Methylthio)-2,4-triazine, 3-methylsulfanyl-1,2,4-triazine, NSC276290, 3-METHYLSULFANYL[1,2,4]TRIAZINE, KSC561S9J, SCHEMBL625824, AC1L854E, 3- Methylthio-1,2,4-triazine, 3-Methylthio-[1,2,4]triazine, CTK4G1994, KS-00000NOK, DTXSID80313726, NFHGWQLAJYTULJ-UHFFFAOYSA-N, ZINC967360, 1,2,4-Triazine,3-(methylthio)-, 3-Methylsulphanyl-[1,2,4]triazine, methyl 1,2,4-triazin-3-yl sulfide, MFCD00490024, SBB085690, AKOS003245203, CS-W018722, GS-4550, MCULE-9501197848, NSC-276290, RP08230, AC-24013, AJ-24477, AK-48101, CJ-04600, SC-19932, ZB015407, DB-021728, ST2417406, A5425, AM20090375, FT-0647734, ST45024070, X6051, M-7166, 735M219, AC-907/34115025, I14-7711, J-510902, InChI=1/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H, 2-Methyl-1,8-naphthyridine, C4H5N3S, 5-Bromo-3-pyridinecarboxamide, CID321839, ACN-043624,

Complexity	68.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.02g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.165g/mol
Monoisotopic Mass	127.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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