AG00C1XS

31130-15-1 | 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol

AG00C1XS

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CAS Number	31130-15-1
Catalog Number	AG00C1XS(AGN-PC-0JVVJD)
Chemical Name	5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol
IUPAC Name	5-(4-methylphenyl)-3H-1,3,4-oxadiazole-2-thione
InChI	InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
InChI Key	RCICTPARDQGART-UHFFFAOYSA-N
MDL Number	MFCD02816988
Molecular Formula	C9H8N2OS
Molecular Weight	192.2376
SMILES	S=C1OC(C2=CC=C(C)C=C2)=NN1
Synonyms	5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol, 31130-15-1, 5-(p-Tolyl)-1,3,4-oxadiazole-2(3H)-thione, 5-p-Tolyl-1,3,4-oxadiazole-2-thiol, 5-p-Tolyl-3H-[1,3,4]oxadiazole-2-thione, 5-(4-METHYLPHENYL)-1 3 4-OXADIAZOLE-2-&, 5-(4-methylphenyl)-3H-1,3,4-oxadiazole-2-thione, 5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(p-tolyl)-1,3,4-oxadiazole-2-thiol, BAS 01290707, ACMC-1AGQX, AC1LFA7M, ChemDiv2_001233, AC1Q7F3F, SCHEMBL988353, AC1Q2K88, CHEMBL1276243, SCHEMBL11862484, HMS1372K01, ZINC529274, ALBB-012663, BBL003622, CCG-21121, MFCD02816988, SBB062598, STK058422, STL071406, TOD100124, AKOS000283703, AKOS000575751, MCULE-7910831188, 5-p-Tolyl-[1,3,4]oxadiazole-2-thiol, SC-21553, 5-(p-tolyl)-1,3,4-oxadiazole-2-thione, AB0119710, TC-010607, BB 0243133, EU-0079439, FT-0620747, FT-0683618, ST50104794, EN300-09395, W-9773, 1,3,4-Oxadiazole-2-thiol, 5-(4-methylphenyl)-, 2-mercapto-5-(4-methylphenyl)-1,3,4-oxadiazole, 5-(4-methylphenyl)-1,3,4-oxadiazoline-2-thione, A820158, 5-(4-METHYLPHENYL)-1 3 4-OXADIAZOLE-2-amp, J-018251, I14-49029, F0918-2999, F2146-0003, 5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione, AR-1G5337, CID749969, 5- -134-OXADIAZOLE-2-&, 2-(4-METHYL-1H-PYRAZOL-1-YL)ETHANOL, 3004-42-0, 31335-33-8,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.236g/mol
Monoisotopic Mass	192.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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