AG003MY6

3004-42-0 | 5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL

AG003MY6

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CAS Number	3004-42-0
Catalog Number	AG003MY6(AGN-PC-0JVNPS)
Chemical Name	5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL
EC Number	221-103-9
IUPAC Name	5-phenyl-3H-1,3,4-oxadiazole-2-thione
InChI	InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
InChI Key	FOHWXVBZGSVUGO-UHFFFAOYSA-N
MDL Number	MFCD00030467
Molecular Formula	C8H6N2OS
Molecular Weight	178.2110
SMILES	S=C1NN=C(O1)C1=CC=CC=C1
Synonyms	5-phenyl-1,3,4-oxadiazole-2-thiol, 3004-42-0, 5-Phenyl-1,3,4-oxadiazole-2-thiol, 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione, 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-, 2-Phenyl-1,3,4-oxadiazole-5-thiol, 1,3,4-oxadiazole-2-thiol, 5-phenyl-, EINECS 221-103-9, 5-Phenyl-[1,3,4]oxadiazole-2-thiol, 2-Fenil-5-mercapto-1,3,4-ossadiazolo, CHEMBL1164316, 1,3,4-OXADIAZOLE-5-THIOL, 2-PHENYL-, FOHWXVBZGSVUGO-UHFFFAOYSA-N, 2-Fenil-5-mercapto-1,3,4-ossadiazolo [Italian], MFCD00030467, 2-Phenyl-1,3,4--oxadiazol-5-thiol, 5-phenyl-1,3,4-oxadiazole-2-thione, 5-phenyl-3H-1,3,4-oxadiazole-2-thione, AC1LEFHN, AC1Q7F3I, KSC107M5D, MLS000552751, 2-Phenyl-5-mercaptooxadiazole, SCHEMBL406885, DTXSID4062773, CTK3J6800, FOHWXVBZGSVUGO-UHFFFAOYSA-, BDBM152484, HA-43, HMS1666K12, HMS1782D17, HMS2273I12, pheny-1,3,4-oxadiazole-2-thiol, ZINC395525, phenyl-1,3,4-oxadiazole-2-thiol, ACT08268, ALBB-004668, BBL000766, BDBM50320726, CCG-48741, SBB043053, STK096362, STK208514, TOD101337, 5-Phenyl-1,3,4-ocadiazole-2-thiol, 5-phenyl-1,3,4-oxadiazaole-2-thiol, AKOS000116272, AKOS000269137, EBD2211092, MCULE-1895412216, 2-mercapto-5-phenyl-1,3,4-oxadiazole, 2-phenyl-5-mercapto-1,3,4-oxadiazole, 5-phenyl-1,3,4-oxadiazoline-2-thione, 5-phenyl-2-mercapto-1,3,4-oxadiazole, KS-0000102M, 2-Phenyl-1,3,4-oxadiazoline-5-thione, NCGC00246482-01, AK111076, LS-99182, SMR000146266, AB0219280, 5-Phenyl-1,3,4-oxadiazole-2-thiol, 97%, BB 0243132, R1599, ST24033078, ST45028135, 5-phenyl-1,3,4-oxadiazol-2-yl hydrosulfide, VU0192207-3, 6P-050, 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione (1), 5-phenyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, AF-615/00099026, I09-2509, J-017746, SR-01000638256-1, .DELTA.2-1,3,4-Oxadiazoline-5-thione, 2-phenyl-, F3099-6031, InChI=1/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12), 1630090-69-5, IWT, D07KXZ, C8H6N2OS, C8-H6-N2-O-S, AIDS009170, KST-1B2869, AR-1B6168, CID735254, 5-Phenyl-1,3,4-oxadiazole-2-thiol, 98% - 25G 25g, 30207-05-7,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.209g/mol
Monoisotopic Mass	178.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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