AG003MY7

3414-94-6 | 5-Phenyl-1H-1,2,4-triazole-3-thiol

AG003MY7

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CAS Number	3414-94-6
Catalog Number	AG003MY7(AGN-PC-0JV3LU)
Chemical Name	5-Phenyl-1H-1,2,4-triazole-3-thiol
IUPAC Name	5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
InChI	InChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
InChI Key	JRLMMJNORORYPO-UHFFFAOYSA-N
MDL Number	MFCD00051814
Molecular Formula	C8H7N3S
Molecular Weight	177.2263
NSC Number	11565
SMILES	SC1=NNC(C2=CC=CC=C2)=N1
UNII	V3LV9TS8XD
Synonyms	3414-94-6, 5-Phenyl-1H-1,2,4-triazole-3-thiol, 5-phenyl-4H-1,2,4-triazole-3-thiol, 3-phenyl-1H-1,2,4-triazole-5-thiol, 5-Phenyl-s-triazole-3-thiol, 3-Phenyl-1,2,4-triazole-5-thiol, UNII-V3LV9TS8XD, NSC 11565, V3LV9TS8XD, 1H-1,2,4-TRIAZOLE-3-THIOL, 5-PHENYL-, 1,4-Dihydro-5-phenyl-3H-1,2,4-triazole-3-thione, 2-Fenil-5-mercapto-1,3,4-triazolo [Italian], 5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide, JRLMMJNORORYPO-UHFFFAOYSA-N, 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione, MFCD00051814, 3H-1,2,4-Triazole-3-thione, 1,4-dihydro-5-phenyl-, 5-phenyl-4h-[1,2,4]triazole-3-thiol, 3-Mercapto-5-phenyl-1,2,4-triazole, MFCD00150547, NSC11565, 2-Fenil-5-mercapto-1,3,4-triazolo, Maybridge1_006115, ACMC-1CL3U, AC1Q7F7Q, CHEMBL85091, SCHEMBL143807, AC1LF669, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-phenyl-, 5-mercapto-3-phenyl-s-triazole, CTK1C3518, CTK8A8531, HMS558N21, TOS-BB-0900, DTXSID80187742, HMS1584C12, ACT08270, ALBB-012660, BBL007205, NSC-11565, SBB012376, STK041409, ZINC18128984, AKOS000267109, AKOS000271326, AKOS002665280, AKOS015934956, FS-1305, MB00459, MCULE-5950162915, MS-2946, 1H-1,4-Triazole-3-thiol, 5-phenyl-, 5-Phenyl-2H-1,2,4-triazole-3-thiol, AJ-70335, RF 00489, ST072018, 1H-1,2,4-triazole-5-thiol, 3-phenyl-, AB0000348, DB-026364, LS-156139, ST2406345, TC-168239, A6049, FT-0616324, 5-phenyl-4h-1,2,4-triazol-3-ylhydrosulfide, 5-Phenyl-1H-1,2,4-triazole-3-thiol, 95%, W-3810, .DELTA.2-1,4-Triazoline-5-thione, 3-phenyl-, 3-phenyl-1,4-dihydro-1,2,4-triazole-5-thione, 3-phenyl4,5-dihydro-1,2,4-triazole-5-thione, delta2-1,2,4-Triazoline-5-thione, 3-phenyl-, 3-Phenyl-1,2,4-triazole-5-thiol hydrate, 98%, 4H-1,2,4-TRIAZOLE-3-THIOL, 5-PHENYL-, A822100, AF-615/00099044, SR-01000518134, 5-phenyl-1,2-dihydro-3H-1,2,4-triazole-3-thione, I09-2508, J-019468, SR-01000518134-1, 3H-1,4-Triazole-3-thione, 1,2-dihydro-5-phenyl-, Z56926543, delta2-1,2,4-Triazoline-5-thione, 3-phenyl- (8CI), F1727-0312, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-phenyl- (9CI), InChI=1/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12, C8H7N3S, C8-H7-N3-S, AR-1F4946, CID698268, 4-(4-methylpiperazin-1-yl)benzonitrile, 4-(4-Methyl-piperazin-1-yl)-benzonitrile, H0885, .DELTA.2-1,2,4-Triazoline-5-thione, 3-phenyl-, 34334-28-6,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.036g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.225g/mol
Monoisotopic Mass	177.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number