AG002RF9

26028-65-9 | 3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-1,2-dihydro-

AG002RF9

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CAS Number	26028-65-9
Catalog Number	AG002RF9(AGN-PC-0JUYY0)
Chemical Name	3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-1,2-dihydro-
IUPAC Name	5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI	InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChI Key	NHEHIODVWGKDFV-UHFFFAOYSA-N
MDL Number	MFCD00174362
Molecular Formula	C8H6ClN3S
Molecular Weight	211.6713
SMILES	SC1=NN=C(C2=CC=C(Cl)C=C2)N1
Synonyms	5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, yucasin, 5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 26028-65-9, s-Triazole-3-thiol, 5-(p-chlorophenyl)-, 5-(p-Chlorophenyl)-s-triazole-3-thiol, 3-(4-chlorophenyl)-1H-1,2,4-triazole-5-thiol, 5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione, 3-MERCAPTO-5(4-CHLOROPHENYL)-[1,2,4-]TRIAZOLE, AC1LENGX, ACMC-20am8n, Maybridge1_006159, AC1Q7F7M, 5-(4-chlorophenyl)-1h-1,2,4-triazole-3-thiol, MLS000769477, CHEMBL22794, SCHEMBL5638065, SCHEMBL13984202, CTK6G9500, CTK6G9901, HMS558P21, DTXSID40180673, CHEBI:109567, HMS2776G18, ALBB-012672, CCG-1593, MFCD00128336, SBB000522, STK116215, STK795006, ZINC18093756, AKOS000100070, AKOS000267015, AKOS000348032, MCULE-4702533193, NCGC00246496-01, SMR000434190, 4-chlorophenyl-3-sulfanyl-1,2,4-triazole, LS-156130, TC-168494, BB 0217157, FT-0683622, ST50118246, 3-(4-chlorophenyl)-1,2,4-triazole-5-thiol, Y-9985, 3-(4-chlorophenyl)-5-mercapto-1,2,4-triazole, SR-01000036533, 4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-, 5-(4-chlorophenyl)-1H-[1,2,4]triazole-3-thiol, I09-2669, J-016228, SR-01000036533-1, 5-(4-Chloro-phenyl)-1H-[1,2,4]triazole-3-thiol, 5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR&, 3-(4-chlorophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione, 5-(4-Chloro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione, 5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione, 97%, C8H6ClN3S, C8-H6-Cl-N3-S, AR-1G5231, CID689099, ZINC00521180, 5- -24-DIHYDRO-124-TR&, 262-12-4,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.997g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	211.667g/mol
Monoisotopic Mass	210.997g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

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