AG002PPV

2487-40-3 | 2-Mercapto-1,9-dihydro-6h-purin-6-one

AG002PPV

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CAS Number	2487-40-3
Catalog Number	AG002PPV(AGN-PC-0WBPLS)
Chemical Name	2-Mercapto-1,9-dihydro-6h-purin-6-one
EC Number	219-636-7
IUPAC Name	2-sulfanylidene-3,7-dihydropurin-6-one
InChI	InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI Key	XNHFAGRBSMMFKL-UHFFFAOYSA-N
MDL Number	MFCD00031505
Molecular Formula	C5H4N4OS
Molecular Weight	168.1765
SMILES	O=C1NC(NC2=C1NC=N2)=S
UNII	PL0PPI1U9A
Synonyms	2-thioxanthene, 2-thioxanthine, 2-Thioxanthine, 2487-40-3, 6-Hydroxy-2-mercaptopurine, 2-Mercapto-9H-purin-6-ol, 2-Mercapto-6-hydroxypurine, 2-Thio-6-oxypurine, 2-Thioxanthene, 2-Thioxo-2,3-dihydro-1H-purin-6(7H)-one, 6-Hydroxypurine-2-thiol, Xanthine, 2-thio-, 6H-Purin-6-one, 1,2,3,7-tetrahydro-2-thioxo-, UNII-PL0PPI1U9A, NSC 36822, NSC 680828, 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one, 2-mercapto-1,9-dihydro-6H-purin-6-one, 2-Mercaptohypoxanthine, EINECS 219-636-7, PL0PPI1U9A, 2-sulfanylhydropurin-6-one, AI3-52144, XNHFAGRBSMMFKL-UHFFFAOYSA-N, 6H-Purin-6-one, 1,2,3,9-tetrahydro-2-thioxo-, GEO-01523, NSC680828, 2-sulfanylpurin-6-ol, 2-Sulfanyl-1,9-Dihydro-6h-Purin-6-One, 2-Thioxo-1,2,3,9-tetrahydro-purin-6-one, 2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one, thioxanthin, 2-Thiohypoxanthine, 2ON, 2-Thio-6-oxopurine, AC1LOR1N, 6-Hydroxy-2-purinethiol, ACMC-209gf9, Hypoxanthine, 2-mercapto-, AC1Q79AA, 2-sulfanyl-1H-purin-6-ol, 2-Sulfanyl-9H-purin-6-ol, SCHEMBL94917, Xanthine, 2-thio- (VAN), Xanthine, 2-thio- (8CI), CHEMBL218762, DTXSID7062459, SCHEMBL19690932, CTK4F4547, 2-thioxo-3,7-dihydropurin-6-one, 2-thioxo-3,9-dihydropurin-6-one, ALBB-024524, NSC36822, ANW-25555, BBL003587, CT-186, FCH831662, MFCD00031505, MFCD00142991, NSC-36822, SBB017247, STK520671, ZINC18127213, Xanthine, 2-thio- (VAN) (8CI), AKOS000275395, AKOS003407172, AKOS005457824, AKOS006230668, LS20602, MCULE-3793470910, NSC-680828, KS-000017J5, 2-sulfanylidene-3,7-dihydropurin-6-one, NCGC00161977-01, AC-17210, AJ-70332, AN-50997, BC211350, SC-38859, SC-59774, ST075650, ST075806, DB-021543, LS-127238, 6H-purin-6-one, 1,9-dihydro-2-mercapto-, BB 0259635, CS-0063941, FT-0621159, T7579, 2-sulfanylidene-3,7-dihydro-1H-purin-6-one, 2-Thioxo-2,3-dihydro-1H-purin-6(9H)-one, 6H-Purin-6-one,2,3,7-tetrahydro-2-thioxo-, 131243-EP2295061A1, 487M403, 487T403, 6H-Purin-6-one,1,2,3,9-tetrahydro-2-thioxo-, Thioxanthine, Purine analog, C5-H4-N4-O-S, CID1268185, ETHYL 3-BROMO-2-METHYLBENZOATE, T0225, T0949, 103038-43-3,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.011g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	168.174g/mol
Monoisotopic Mass	168.011g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number