AG00025M

1005-39-6 | 4,6-Pyrimidinediamine, 2-(methylthio)-

AG00025M

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CAS Number	1005-39-6
Catalog Number	AG00025M(AGN-PC-0JL9QE)
Chemical Name	4,6-Pyrimidinediamine, 2-(methylthio)-
EC Number	213-735-9
IUPAC Name	2-methylsulfanylpyrimidine-4,6-diamine
InChI	InChI=1S/C5H8N4S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H4,6,7,8,9)
InChI Key	AHAIUNAIAHSWPG-UHFFFAOYSA-N
MDL Number	MFCD00023241
Molecular Formula	C5H8N4S
Molecular Weight	156.2088
SMILES	NC1=NC(SC)=NC(N)=C1
Synonyms	1005-39-6, 4,6-Diamino-2-methylmercaptopyrimidine, 2-(methylthio)pyrimidine-4,6-diamine, 4,6-Diamino-2-methylthiopyrimidine, 4,6-Pyrimidinediamine, 2-(methylthio)-, 2-Methylthiopyrimidine-4,6-diamine, 4,6-diamino-2-(methylthio)pyrimidine, 2-Methylthio-4,6-diaminopyrimidine, 2-methylsulfanylpyrimidine-4,6-diamine, 4,6-Diamino-2-methyl-mercaptopyrimidine, Pyrimidine, 4,6-diamino-2-(methylthio)-, AHAIUNAIAHSWPG-UHFFFAOYSA-N, MFCD00023241, 2-(methylsulfanyl)pyrimidine-4,6-diamine, 4, 2-(methylthio)-, Pyrimidine,6-diamino-2-(methylthio)-, NSC60555, EINECS 213-735-9, ACMC-20amrm, PubChem21909, Maybridge3_004651, AC1L2E7Q, AC1Q4H9F, KSC496A1L, AC1Q4H41, SCHEMBL3625881, CTK3J6015, RSCBB000249, ZINC73626, CCG-959, DTXSID20143347, HMS1444D09, EBD54325, NSC44919, NSC-44919, NSC-60555, SBB028321, STK336088, 2-(Methylthio)-4,6-pyrimidinediamine, AKOS000273600, MCULE-4536678983, QC-9682, RP22046, TRA0000606, IDI1_016038, KS-00000A63, 4,6-Diamino-2-(methylmercapto)pyrimidine, AK208626, AN-48272, AS-31153, CJ-00571, EN001648, HC210539, SY020857, ZB002639, 6-amino-2-(methylthio)-4-pyrimidinylamine, AB0060111, DB-006591, RT-002817, 2-(Methylsulfanyl)-4,6-pyrimidinediamine #, CS-0078674, FT-0080515, FT-0617230, ST50409884, Z2791, A19512, Z-4592, MFCD00023241 (97+%), AB-323/25048059, I03-0340, J-514109, Z54930798, 4,6-Diamino-2-methylmercaptopyrimidine; 2-Methylthiopyrimidine-4,6-diamine, C5H8N4S, C5-H8-N4-S, CID70497, AR-1C9516, ACN-043802, 1010-59-9,

Complexity	99.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.047g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	156.207g/mol
Monoisotopic Mass	156.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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