AG007XL9

154-42-7 | 2-Amino-1H-purine-6(7H)-thione

AG007XL9

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CAS Number	154-42-7
Catalog Number	AG007XL9(AGN-PC-0O4EG3)
Chemical Name	2-Amino-1H-purine-6(7H)-thione
EC Number	205-827-2
IUPAC Name	2-amino-3,7-dihydropurine-6-thione
InChI	InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChI Key	WYWHKKSPHMUBEB-UHFFFAOYSA-N
MDL Number	MFCD00127785
Molecular Formula	C5H5N5S
Molecular Weight	167.1917
SMILES	S=C1N=C(NC2=C1NC=N2)N
UN Number	2811
UNII	WIX31ZPX66
Synonyms	2 Amino 6 Purinethiol, 2-amino-6-purinethiol, 6 Thioguanine, 6-Thioguanine, Anhydrous, Thioguanine, Lanvis, Tabloid, Thioguanin GSK, Thioguanin-GSK, Thioguanine, Thioguanine Anhydrous, Thioguanine Hemihydrate, Thioguanine Monosodium Salt, Thioguanine Tabloid, ThioguaninGSK, Tioguanina Wellcome, Tioguanine, 6-Thioguanine, thioguanine, 154-42-7, Tioguanine, 2-Amino-6-mercaptopurine, 6-Mercaptoguanine, Tioguanin, Tabloid, Lanvis, 2-Amino-6-purinethiol, 2-Aminopurine-6-thiol, 2-Amino 6MP, 2-Aminopurin-6-thiol, Wellcome U3B, 2-Aminopurine-6(1H)-thione, Tioguaninum, 2-Amino-9H-purine-6-thiol, 6-Mercapto-2-aminopurine, 6-TG, 2-Amino-6-merkaptopurin, Guanine, thio-, Tioguanina, 2-Thioguanine, 6H-Purine-6-thione, 2-amino-1,7-dihydro-, BW 5071, Purine-6-thiol, 2-amino-, Purine-6(1H)-thione, 2-amino-, 2-Amino-6-MP, 2-Amino-1,7-dihydro-6H-purine-6-thione, 2-Amino-1,9-Dihydro-6h-Purine-6-Thione, Tioguaninum [INN-Latin], 2-amino-3,7-dihydropurine-6-thione, 2-Aminopurin-6-thiol [Czech], TG, Guanine, thio- (VAN), NSC 752, NSC-752, 2-Amino-1,7-dihydro-6H-purin-6-thion, 2-Amino-6-merkaptopurin [Czech], X 27, 6-Thioguanine (6-TG), Tioguanina [INN-Spanish], UNII-WIX31ZPX66, THG, Tioguanine (INN), CCRIS 8997, 9H-Purine-6-thiol, 2-amino-, HSDB 2504, EINECS 205-827-2, MFCD00233553, 2-Amino-1,7-dihydro-6H-purin-6-thion [Czech], CHEMBL727, WIX31ZPX66, 2-amino-6,7-dihydro-3H-purine-6-thione, AI3-26078, CHEBI:9555, NSC752, WYWHKKSPHMUBEB-UHFFFAOYSA-N, Tioguanine [INN], 2-amino-1,7-dihydropurine-6-thione, 2-amino-1,9-dihydropurine-6-thione, NCGC00094792-01, DSSTox_CID_3652, DSSTox_RID_77129, DSSTox_GSID_23652, Thioguanine [USAN:BAN], 6-Tioguanine, CAS-154-42-7, DX4, SMR000857244, Lanvis (TN), SR-05000002077, Thioguanine [USAN:USP], Thioquanine, 6-thioguanidine, 7H-Purine-6-thiol, 2-amino-, 6-thioguano-sine, 6-TG/Thioguanine, PubChem9185, 6-Thioguanine/6-TG, 1H-Purine-6-thiol, 2-amino- (9CI), Spectrum_000235, ACMC-209dan, Spectrum2_000695, Spectrum3_000577, Spectrum4_000926, Spectrum5_001455, purine antimetabolite: antimetabolite: inhibits nucleic acid replication, 2-Amino-6-mercapto-purin, 6-Thioguanine, >=98%, SCHEMBL3701, SCHEMBL5898, NCIOpen2_004153, BSPBio_001994, C5H7N5S, KBioGR_001452, KBioGR_002476, KBioSS_000715, KBioSS_002483, KSC491M3F, MLS001333131, MLS001333132, MLS006010896, DivK1c_000428, SPECTRUM1500573, 6H-Purine-6-thione, 2-amino-3,7-dihydro- (9CI), SPBio_000849, 154-42-7|6-Thioguanine, 2-amino-6-mercapto-9H-purine, AC1MC379, GTPL6845, Thioguanine (TN) (GlaxoSmith), DTXSID6023652, CTK3J1632, HMS501F10, KBio1_000428, KBio2_000715, KBio2_002476, KBio2_003283, KBio2_005044, KBio2_005851, KBio2_007612, KBio3_001494, KBio3_002954, cMAP_000061, NINDS_000428, BCPE000001, HMS1921E09, HMS2092M11, HMS2235F05, Pharmakon1600-01500573, 2- degrees +/->>u-6-UIaNssE, 2-amino-1H-purine-6(9H)-thione, ALBB-023493, BCP27718, ZINC6382803, Tox21_111035, Tox21_113184, Tox21_202401, Tox21_300275, ABP000905, ANW-21501, BDBM50200099, CCG-39890, CT-117, LS-888, NSC757348, s1774, SBB067147, 2- degrees +/->>u-6UI>>uaNssE, AKOS003389499, AKOS015901298, Tox21_111035_1, 2-Amino-1,7-dihydro-purine-6-thione, 2-Amino-1,9-dihydro-purine-6-thione, AC-8421, AN-8030, API0015888, BCP9000197, CCG-213953, CS-1497, DB00352, FCH1448907, MCULE-5787306636, NSC-757348, PS-5007, RP02522, VZ33872, WLN: T56 BNM FYM INJ FUS HZ, IDI1_000428, SMP2_000326, NCGC00094792-02, NCGC00094792-03, NCGC00094792-05, NCGC00094792-06, NCGC00188976-01, NCGC00188976-02, NCGC00254082-01, NCGC00259950-01, NCGC00263442-01, 153981-51-2, 153981-52-3, 154034-61-4, 154034-62-5, 2-amino-1,7-dihydro-6h-purine-6-thion, 4CA-0085, AC-23020, CJ-15826, H351, HY-13765, NCI60_041643, SC-01333, SMR004701808, 2-amino-3,7-dihydro-6H-purine-6-thione, SBI-0051533.P003, AB0013003, AB2000285, FT-0083572, FT-0611217, R2215, ST45025337, Y7662, 2-Amino-1,7-dihydro-6H-purine-6-thione #, C07648, D08603, J10163, W-5092, 15151-EP2275420A1, 15151-EP2295055A2, 15151-EP2295416A2, 15151-EP2295426A1, 15151-EP2295427A1, 15151-EP2298748A2, 15151-EP2298764A1, 15151-EP2298765A1, 15151-EP2305642A2, 15151-EP2308833A2, 15151-EP2311453A1, 15151-EP2311808A1, 15151-EP2311825A1, 15151-EP2311829A1, 15151-EP2311840A1, 15151-EP2311842A2, 15151-EP2316832A1, 15151-EP2316833A1, AB00174074_06, AB00918694_06, AB01273926-01, AB01273926-02, AB01273926_03, 120118-EP2270008A1, 120118-EP2272827A1, 120118-EP2292617A1, 120118-EP2298778A1, 154T427, I14-1541, SR-05000002077-1, SR-05000002077-5, W-108030, W-205813, I14-18698, Z2768769146, Thioguanine, United States Pharmacopeia (USP) Reference Standard, 157646-93-0, 6-Thioguanine, Hybri-Max(TM), 50 x, gamma-irradiated, lyophilized powder, BioXtra, suitable for hybridoma, ThioguaninGSK, 6 Thioguanine, Thioguanin GSK, Thioguanin-GSK, Thioguanine Tabloid, Tioguanina Wellcome, Thioguanine Hemihydrate, Thioguanine hydrate, Thioguanine Anhydrous, Thioguanine [USAN], 2 Amino 6 Purinethiol, 2-Amino-6-methoxypurine, Anhydrous, Thioguanine, 2-amino-1H-purine-6(7H)-thione, Guanine, thio-(VAN), Thioguanine Monosodium Salt, UNII-FTK8U1GZNX, Tioguanina[INN-Spanish], C5H5N5S, D02ZXM, 6-Thioguanine, Thioguanine, 6-Thioguanine, 98% 1g, Thioguanine (Guanine analog), Wellcome Brand of Thioguanine, Tioguanine GlaxoSmithKline Brand, 6H-Purine-6-thione,7-dihydro-, 2-Aminopurine-6-thiol hemihydrate, C5-H5-N5-S, Glaxo Wellcome Brand of Tioguanine, Glaxo Wellcome Brand of Thioguanine, GlaxoSmithKline Brand of Tioguanine, GlaxoSmithKline Brand of Thioguanine, CID2723601, Purine-6-thiol, 2-amino-, hemihydrate, NCGC00090879-01, 2-Amino-6-purinethiol, 98% - 5G 5g, A4176, LT00455187, T0212, D013866, 6H-Purine-6-thione, 2-amino-1,7-dihydro-, hemihydrate, 20535-83-5, 5580-03-0,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	167.19g/mol
Monoisotopic Mass	167.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319-H350-H360
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number