AG0001WN

1004-76-8 | 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

AG0001WN

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CAS Number	1004-76-8
Catalog Number	AG0001WN(AGN-PC-00H0W4)
Chemical Name	4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-
EC Number	213-727-5
IUPAC Name	5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one
InChI	InChI=1S/C4H6N4OS/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChI Key	QYSWOQHLIDKEOL-UHFFFAOYSA-N
MDL Number	MFCD00040963
Molecular Formula	C4H6N4OS
Molecular Weight	158.1816
NSC Number	45759
SMILES	NC1=C(N)C(O)=NC(S)=N1
Synonyms	4,5-diamino-2-thiouracil, 1004-76-8, 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine, 2-Mercapto-4-hydroxy-5,6-diaminopyrimidine, 4,5-Diamino-2-thiouracil, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, 5,6-Diamino-2-thiouracil, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 5,6-diamino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 2-Mercapto-4-hydroxy-5,6-diamino-pyrimidine, 5,6-diamino-2-mercaptopyrimidin-4-ol, QYSWOQHLIDKEOL-UHFFFAOYSA-N, 5,6-diamino-2-sulfanylpyrimidin-4-ol, 4,5-diamino-6-hydroxy-2-mercapto pyrimidine, 4(1H)-Pyrimidinone,5,6-diamino-2,3-dihydro-2-thioxo-, 5,6-diamino-2-thioxo-1,3-dihydropyrimidin-4-one, Diamino-thio-uracil, EINECS 213-727-5, NSC 45759, zlchem 191, PubChem9484, 5,6-diamino-2-mercapto-pyrimidin-4-ol, AI3-52253, Uracil,6-diamino-2-thio-, SCHEMBL739774, PYR085, Jsp000122, CHEMBL2151968, Uracil, 5,6-diamino-2-thio-, CTK3J8974, CTK7E0954, KS-00001DOS, DTXSID00143249, ZLB0182, ACT05872, ALBB-023843, CS-B0339, NSC45759, ANW-57905, CD-435, MFCD00040963, NSC-45759, SBB065675, ZINC12958929, AKOS003390423, AKOS005067816, AKOS022635772, AKOS023552965, 4,5-Diamino-2-mercaptopyrimidin-6-ol, GS-6423, LS40537, MCULE-2878751510, RL00043, TRA0001928, NCGC00188178-01, NCGC00188178-02, NCGC00188178-03, NCGC00188178-04, AC-26668, AJ-63336, AK-28415, AN-48269, BP-12431, HC210067, L602, SC-54371, 5,6-diamino-2-thioxo-1H-pyrimidin-4-one, AB0014790, AB0109220, DB-017446, TC-146650, TL8000054, 4CH-001458, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, FT-0617144, R1233, ST24044069, ST45026966, 4,5-Diamino-6-hydroxy-2-mercapto-pyrimidine, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, 85%, 4-5-diamino-6-hydroxy-2-*mercaptopyrimidine free, A800215, I03-0010, W-108958, 4(1H)-Pyrimidinone,6-diamino-2,3-dihydro-2-thioxo-, 5,6-bis(azanyl)-2-sulfanylidene-1H-pyrimidin-4-one, 5,6-diamino-2-sulfanylidene-1,3-dihydropyrimidin-4-one, 5,6-Diamino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one, 5,6-Diamino-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone #, Cyclohexylphosphonic acid, C4H6N4OS, C4-H6-N4-O-S, ACN-027109, CID1201437,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.026g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	158.179g/mol
Monoisotopic Mass	158.026g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number