AG003B0V

54230-60-3 | 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole

AG003B0V

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CAS Number	54230-60-3
Catalog Number	AG003B0V(AGN-PC-0JUYOH)
Chemical Name	1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole
EC Number	259-035-7
IUPAC Name	1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
InChI	InChI=1S/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3
InChI Key	BKJMMUUBRUWPPQ-UHFFFAOYSA-N
MDL Number	MFCD00014089
Molecular Formula	C17H25N3O2S
Molecular Weight	335.4643
SMILES	CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)S(=O)(=O)N1C=NC=N1
Synonyms	54230-60-3, 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole, 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole, 1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-1,2,4-TRIAZOLE, MFCD00014089, 1-[(2,4,6-triisopropylphenyl)sulfonyl]-1h-1,2,4-triazole, 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole, TPST, 2,4,6-Triisopropylbenzenesulfonyl-1H-1,2,4-triazole, 1-((2,4,6-Triisopropylphenyl)-sulfonyl)-1H-1,2,4-triazole, 1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole, J-502808, 1-(2,4,6-Triisopropylphenylsulfonyl)-1,2,4-triazole, 1H-1,2,4-Triazole, 1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-, EINECS 259-035-7, AC1LEMIH, AC1Q6TOH, ACMC-1B21Q, KSC498C9H, SCHEMBL5686154, CTK3J8193, ZINC57639, DTXSID20202584, BKJMMUUBRUWPPQ-UHFFFAOYSA-N, ANW-65586, CT-522, AKOS015900691, MCULE-3973213217, RL04015, TRA0065821, VZ20808, KS-000010O5, AC-24889, AJ-09759, AN-40649, AS-11375, CC-01745, CJ-00481, ZB002196, AB0009745, AX8016767, RT-004297, FT-0605477, ST50826228, 230T603, A830048, C-20201, 2,4,6-TRIISOPROPYLBENZENE-SULFONYLTRIAZOLIDE, 1-(2,4,6-triisopropylphenyl)sulfonyl-1,2,4-triazole, I14-16326, 1-(2,4,6-Triisopropylbenzenesulphonyl)-1,2,4-triazole, 1-(2,4,6-triisopropylbenzenesulfonyl)-1H 1,2,4-triazole, 1-(2,4,6-triisopropylbenzenesulfonyl)-1H-1,2,4-triazole, 1-(2,4,6-triisopropylphenylsulfonyl)-1H-1,2,4-triazole, 1-{[2,4,6-tris(methylethyl)phenyl]sulfonyl}-1,2,4-triazole, 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole, 1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]-1H-1,2,4-triazole, C17H25N3O2S, KST-1B5231, AR-1B8546, C17-H25-N3-O2-S, CID688654, ZINC00057639, T2951, M-1160, 2,4,6-Triisopropylbenzenesulfonyl-1H-1,2,4-triazole, 1-[[2,4,6-Tris phenyl]sulphonyl]-1H-1,2,4-triazole, 1-(2,4,6-Triisopropylbenzenesulfonyl)-1,2,4-triazole, 98% - 1G 1g, 54322-81-5,

Complexity	467
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	335.167g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	335.466g/mol
Monoisotopic Mass	335.167g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number