AG002MHO

23195-30-4 | 4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

AG002MHO

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CAS Number	23195-30-4
Catalog Number	AG002MHO(AGN-PC-0QZL83)
Chemical Name	4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
IUPAC Name	3-(2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI	InChI=1S/C12H13N3OS/c1-3-8-15-11(13-14-12(15)17)9-6-4-5-7-10(9)16-2/h3-7H,1,8H2,2H3,(H,14,17)
InChI Key	DPRJSPFDWWPZKN-UHFFFAOYSA-N
MDL Number	MFCD01959323
Molecular Formula	C12H13N3OS
Molecular Weight	247.3161
SMILES	COC1=C(C2N(CC=C)C(S)=NN=2)C=CC=C1
Synonyms	4-allyl-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, 23195-30-4, EN300-08494, 4-Allyl-5-(2-methoxy-phenyl)-4H-[1,2,4]triazole-3-thiol, AC1LEZGO, MLS000665107, AC1Q452D, AC1Q7F02, CHEMBL1411932, CTK5J4682, CTK8F5605, DTXSID80351264, HMS2567N10, ZINC503887, ALBB-003272, ZX-AN003252, 7884AD, MFCD01959323, SBB040308, STK041085, STK758121, AKOS000100214, AKOS001471762, MCULE-3364410828, SMR000270334, TR-010826, BB 0217303, EU-0015723, FT-0678574, R5240, SR-01000520036, I09-2419, SR-01000520036-1, 3-(2'-methoxyphenyl)-4-allyl-5-mercapto-1,2,4-triazole, 4-Allyl-5-(2-methoxyphenyl)-4H-[1,2,4]triazole-3-thiol, A1801/0076163, 5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol, 3-(2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-1,2,4-triazole-3-thiol, 4-allyl-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(2-propen-1-yl)-, 5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, C12H13N3OS, AR-1G0412, CID695060, ZINC00068794, 23338-53-6,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.078g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.316g/mol
Monoisotopic Mass	247.078g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	69A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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