AG0001WX

1004-39-3 | 2(1H)-Pyrimidinethione, 4,6-diamino-

AG0001WX

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CAS Number	1004-39-3
Catalog Number	AG0001WX(AGN-PC-0K1Y2A)
Chemical Name	2(1H)-Pyrimidinethione, 4,6-diamino-
EC Number	213-721-2
IUPAC Name	4,6-diamino-1H-pyrimidine-2-thione
InChI	InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChI Key	QCAWOHUJKPKOMD-UHFFFAOYSA-N
MDL Number	MFCD00149406
Molecular Formula	C4H6N4S
Molecular Weight	142.1822
SMILES	NC1=CC(N)=NC(S)=N1
UNII	0VP6I0FY3O
Synonyms	4,6-diaminopyrimidine-2-thiol, 4,6-Diamino-2-mercaptopyrimidine, 1004-39-3, 4,6-Diaminopyrimidine-2-thiol, 2-Mercapto-4,6-diaminopyrimidine, 2(1H)-Pyrimidinethione, 4,6-diamino-, 4,6-Diamino-2-thiopyrimidine, 4,6-Diamino-2-pyrimidinethiol, 2-Thio-6-aminocytosine, UNII-0VP6I0FY3O, 0VP6I0FY3O, QCAWOHUJKPKOMD-UHFFFAOYSA-N, 4,6-diamino-1H-pyrimidine-2-thione, 4,6-diaminopyrimidine-2(3H)-thione, NSC680831, 4,6-Diamino-2(1H)-pyrimidinethione, 4,6-Diaminopyrimidine-2(1H)-thione, QCAWOHUJKPKOMD-UHFFFAOYSA-, NSC 1586, 4,6-diamino-1H-pyrimidine-2-thione hydrate, InChI=1/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9), EINECS 213-721-2, NSC 680831, PubChem7043, AI3-52092, ACMC-1AF9N, KSC835Q8J, SCHEMBL447400, 4,6-Diamino-2-thiolpyrimidine, SCHEMBL8723127, Jsp000117, 4,6-Diaminopyrimidine-2-thione, 4,6-diarnino-2-pyrimidinethiol, CHEMBL1868693, DTXSID8061395, 2-Thiol-4,6-diamino-pyrimidine, 4,6-diamino-pyrimidine-2-thiol, CTK7D5868, CTK7D5884, KS-00000YOA, NSC1586, 2-mercapto-4,6-diamino-pyrimidine, 4,6-diamino-2-mercapto-pyrimidine, EBD10969, NSC-1586, ZINC4284766, 2(1H)-Pyrimidinethione,6-diamino-, 4,6-diaminopyrimidine-2(1H)thione, ANW-14283, GEO-00921, MFCD00006078, SBB004143, STK719927, AKOS002337384, AKOS003677224, AM81334, HP21034, MCULE-3301109392, NE10426, NSC-680831, VP50163, 4,6-Diamino-2(1H)-pyrimidinethione #, 4,6-diamino-3-hydropyrimidine-2-thione, NCGC00186390-01, NCGC00186390-02, AC-25257, AJ-50218, AK111069, AN-48264, AS-18859, CJ-11857, HC210035, SC-00034, ST059632, AB0030731, DB-028659, TC-103028, 4,6-Diamino-1,2-dihydro-2-thioxopyrimidine, 4CH-011871, CS-0078663, D2063, FT-0617229, ST24023059, X2953, AE-848/32943037, I03-0245, W-108961, C4H6N4S, 4,6-Diamino-2-thiopyrimdine, C4-H6-N4-S, ACN-043832, CID1201482, 4,6-Diamino-2-mercaptopyrimidine hydrate, 2(1H)-Pyrimidinethione, 4,6-diamino- (7CI,9CI), 303136-89-2,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.031g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	142.18g/mol
Monoisotopic Mass	142.031g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	109A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number