AG00BZ7B

3690-46-8 | 5-(3-Pyridinyl)-1,3,4-oxadiazole-2-thiol

AG00BZ7B

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CAS Number	3690-46-8
Catalog Number	AG00BZ7B(AGN-PC-0JUIRS)
Chemical Name	5-(3-Pyridinyl)-1,3,4-oxadiazole-2-thiol
IUPAC Name	5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione
InChI	InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12)
InChI Key	QBLWWQDTKCIRSW-UHFFFAOYSA-N
MDL Number	MFCD00139080
Molecular Formula	C7H5N3OS
Molecular Weight	179.1991
SMILES	SC1=NN=C(C2=CC=CN=C2)O1
Synonyms	3690-46-8, 5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol, 5-(3-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL, 5-(pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione, 5-pyridin-3-yl-1,3,4-oxadiazole-2-thiol, QBLWWQDTKCIRSW-UHFFFAOYSA-N, 1,3,4-Oxadiazole-2-thiol, 5-(3-pyridinyl)-, 5-(3-pyridyl)-1,3,4-oxadiazoline-2-thione, 5-(3-pyridyl)-2-mercapto-1,3,4-oxadiazole, pyridinyloxadiazolethiol, AC1LD1JE, AC1Q7GL5, MLS000079994, SCHEMBL3610426, CHEMBL1276244, CTK4H7376, DTXSID60349760, HMS2397N04, ALBB-012677, ZINC1254432, 4696AB, BBL003527, MFCD00139080, SBB062591, STK396892, STK508278, TOD101268, AKOS000295967, AKOS001054752, MCULE-4883146920, RP10835, KS-0000207C, SMR000035316, ST4111504, TC-010604, 5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol, 5-(3-pyridyl)-1,3,4-oxadiazole-2-thione, EU-0065315, FT-0680635, R2282, 5-Pyridin-3-yl-[1,3,4]oxadiazole-2-thiol, EN300-05092, 8D-054, 2-Mercapto-5-(pyrid-3-yl)-1,3,4-oxadiazole, 5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione, 5-(3-pyridyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol, 97%, I09-2872, J-516392, 1,3,4-Oxadiazole-2(3H)-thione,5-(3-pyridinyl)-, F1145-0006, F2135-0160, 5-(pyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione, A3662/0155203, A3847/0163388, C7H5N3OS, CID659750, ZINC00264365, 5- -1,3,4-OXADIAZOLE-2-THIOL,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.197g/mol
Monoisotopic Mass	179.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3259

Certificate of Analysis

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