AG003B2L

21948-70-9 | 2-Methylthiopyrazine

AG003B2L

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CAS Number	21948-70-9
Catalog Number	AG003B2L(AGN-PC-0JS95N)
Chemical Name	2-Methylthiopyrazine
EC Number	244-675-1
FEMA Number	3231
IUPAC Name	2-methylsulfanylpyrazine
InChI	InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChI Key	KBPBOWBQRUXMFV-UHFFFAOYSA-N
MDL Number	MFCD00013759
Molecular Formula	C5H6N2S
Molecular Weight	126.1795
SMILES	CSC1=NC=CN=C1
UNII	R1C97E3A4F
Synonyms	2-Methylthiopyrazine, 2-(Methylthio)pyrazine, 21948-70-9, Pyrazine, (methylthio)-, Pyrazinyl methyl sulfide, 2-methylsulfanylpyrazine, Methyl pyrazinyl sulfide, 2-(Methylsulfanyl)pyrazine, (Methylthio)pyrazine, 2-Methylsulfanyl-pyrazine, Pyrazine, 2-(methylthio)-, UNII-R1C97E3A4F, R1C97E3A4F, KBPBOWBQRUXMFV-UHFFFAOYSA-N, MFCD00041024, methylthio pyrazine, 2-Methylthiopyrazin, (methylthio)-Pyrazine, 2-methylthio pyrazine, PubChem8604, pyrazinylmethyl sulfide, AC1LATAZ, ACMC-1CBWJ, DSSTox_CID_27491, DSSTox_RID_82379, DSSTox_GSID_47491, KSC497E2P, CHEMBL94743, SCHEMBL1617422, Jsp004457, DTXSID1047491, CTK3J7227, ZINC156980, ACT01756, KS-00000J3Z, Tox21_302534, ANW-24636, CM0172, AKOS006221647, 2-(Methylthio)pyrazine, >=98%, FG, AM84779, CS-W011155, MCULE-8176474573, RTR-010293, TRA-0183728, NCGC00256645-01, AJ-13930, AK-41535, AN-17895, AS-14484, BR-41535, CJ-01567, L313, ZB006497, CAS-21948-70-9, DB-045731, ST2404506, TR-010293, FT-0608839, M1821, ST51016189, S-1938, A815774, I09-0076, Q-100274, 2-Methylmercaptopyrazine, C5H6N2S, FEMA No. 3231, FEMA 3231, EINECS 244-675-1, CID519907, ZINC00156980, 2-(Methylthio)pyrazine, 98% - 25G 25g,

Complexity	67.4
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	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.177g/mol
Monoisotopic Mass	126.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number